CID 134715531

Chlorophylls, copper complexes

Structural Information

Molecular Formula
C34H44N4O6
SMILES
CCC1=C2CC3C(=C(C(N3)C(C4=C(C(=C(N4)CC5C(=C(C(N5)CC(=C1C)N2)C=C)C)C)CCC(=O)O)CC(=O)O)C(=O)O)C
InChI
InChI=1S/C34H44N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,22-23,26-27,33,35-38H,1,8-14H2,2-6H3,(H,39,40)(H,41,42)(H,43,44)
InChIKey
VVQDWKDOESAGOM-UHFFFAOYSA-N
Compound name
18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

604.3261 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.33338 246.7
[M+Na]+ 627.31532 250.0
[M+NH4]+ 622.35992 246.7
[M+K]+ 643.28926 254.2
[M-H]- 603.31882 240.3
[M+Na-2H]- 625.30077 246.6
[M]+ 604.32555 244.3
[M]- 604.32665 244.3
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.