CID 193825

Harderoporphyrinogen

Structural Information

Molecular Formula
C35H42N4O6
SMILES
CC1=C2CC3C(=C(C(=N3)CC4C(=C(C(=N4)CC5=NC(CC(=C1CCC(=O)O)N2)C(=C5C)CCC(=O)O)C)C=C)C)CCC(=O)O
InChI
InChI=1S/C35H42N4O6/c1-6-21-17(2)25-13-26-18(3)23(8-11-34(42)43)31(37-26)16-32-24(9-12-35(44)45)20(5)28(39-32)15-30-22(7-10-33(40)41)19(4)27(38-30)14-29(21)36-25/h6,29-31,39H,1,7-16H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)
InChIKey
QTGZHJUSEYHULR-UHFFFAOYSA-N
Compound name
3-[13,17-bis(2-carboxyethyl)-7-ethenyl-3,8,12,18-tetramethyl-1,5,6,10,14,15,20,24-octahydroporphyrin-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

614.3104 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.31768 249.7
[M+Na]+ 637.29962 254.8
[M+NH4]+ 632.34422 250.5
[M+K]+ 653.27356 258.8
[M-H]- 613.30312 244.7
[M+Na-2H]- 635.28507 239.3
[M]+ 614.30985 248.1
[M]- 614.31095 248.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.