PubChemLite - N-methylporphyroxine (C21H23NO6)

Structural Information

Molecular Formula

SMILES

CN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)OC)C5=C(C=C4)OCO5)O)OC

InChI

InChI=1S/C21H23NO6/c1-22-7-6-11-8-16(24-2)14(23)9-13(11)19-18(22)12-4-5-15-20(27-10-26-15)17(12)21(25-3)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3

InChIKey

NRJVOXUCVMTVSZ-UHFFFAOYSA-N

Compound name

11,17-dimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaen-16-ol

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]+	386.15981	196.1
[M+Na]+	408.14175	207.2
[M+NH4]+	403.18635	202.8
[M+K]+	424.11569	204.5
[M-H]-	384.14525	201.3
[M+Na-2H]-	406.12720	194.2
[M]+	385.15198	199.3
[M]-	385.15308	199.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

386.15981

196.1

[M+Na]+

408.14175

207.2

[M+NH4]+

403.18635

202.8

[M+K]+

424.11569

204.5

[M-H]-

384.14525

201.3

[M+Na-2H]-

406.12720

194.2

[M]+

385.15198

199.3

[M]-

385.15308

199.3

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

N-methylporphyroxine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe