PubChemLite - [v(3,4,5-(meo)3-tpp)(o)] (C56H54N4O12)

Structural Information

Molecular Formula

SMILES

COC1=CC(=CC(=C1OC)OC)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=C(C(=C7)OC)OC)OC)C8=CC(=C(C(=C8)OC)OC)OC)C9=CC(=C(C(=C9)OC)OC)OC)N3

InChI

InChI=1S/C56H54N4O12/c1-61-41-21-29(22-42(62-2)53(41)69-9)49-33-13-15-35(57-33)50(30-23-43(63-3)54(70-10)44(24-30)64-4)37-17-19-39(59-37)52(32-27-47(67-7)56(72-12)48(28-32)68-8)40-20-18-38(60-40)51(36-16-14-34(49)58-36)31-25-45(65-5)55(71-11)46(26-31)66-6/h13-28,57-58H,1-12H3

InChIKey

OFAUZMWMOCYDIN-UHFFFAOYSA-N

Compound name

5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	975.38112	293.8
[M+Na]+	997.36306	311.2
[M-H]-	973.36656	296.8
[M+NH4]+	992.40766	299.8
[M+K]+	1013.3370	295.5
[M+H-H2O]+	957.37110	273.5
[M+HCOO]-	1019.3720	300.1
[M+CH3COO]-	1033.3877	302.1
[M+Na-2H]-	995.34851	289.1
[M]+	974.37329	324.1
[M]-	974.37439	324.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

975.38112

293.8

[M+Na]+

997.36306

311.2

[M-H]-

973.36656

296.8

[M+NH4]+

992.40766

299.8

[M+K]+

1013.3370

295.5

[M+H-H2O]+

957.37110

273.5

[M+HCOO]-

1019.3720

300.1

[M+CH3COO]-

1033.3877

302.1

[M+Na-2H]-

995.34851

289.1

[M]+

974.37329

324.1

[M]-

974.37439

324.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

[v(3,4,5-(meo)3-tpp)(o)]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe