CID 481547

Manganous 2,4,6-trimethyl-3-[(5z,10z,14z,19z)-10,15,20-tris(2,4,6-trimethyl-3-sulfamoyl-phenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonamide

Structural Information

Molecular Formula
C56H58N8O8S4
SMILES
CC1=CC(=C(C(=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C(=C(C=C7C)C)S(=O)(=O)N)C)C8=C(C(=C(C=C8C)C)S(=O)(=O)N)C)C9=C(C(=C(C=C9C)C)S(=O)(=O)N)C)N3)C)S(=O)(=O)N)C
InChI
InChI=1S/C56H58N8O8S4/c1-25-21-29(5)53(73(57,65)66)33(9)45(25)49-37-13-15-39(61-37)50(46-26(2)22-30(6)54(34(46)10)74(58,67)68)41-17-19-43(63-41)52(48-28(4)24-32(8)56(36(48)12)76(60,71)72)44-20-18-42(64-44)51(40-16-14-38(49)62-40)47-27(3)23-31(7)55(35(47)11)75(59,69)70/h13-24,61-62H,1-12H3,(H2,57,65,66)(H2,58,67,68)(H2,59,69,70)(H2,60,71,72)
InChIKey
XSHRGNPATNHTCZ-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-3-[10,15,20-tris(2,4,6-trimethyl-3-sulfamoylphenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1098.326 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1099.3333 307.9
[M+Na]+ 1121.3152 331.7
[M-H]- 1097.3187 315.1
[M+NH4]+ 1116.3598 318.2
[M+K]+ 1137.2892 315.0
[M+H-H2O]+ 1081.3233 292.7
[M+HCOO]- 1143.3242 317.8
[M+CH3COO]- 1157.3399 319.0
[M+Na-2H]- 1119.3007 313.3
[M]+ 1098.3255 359.7
[M]- 1098.3265 359.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.