CID 3580
Ns00073789
Structural Information
- Molecular Formula
- C34H38N4O4
- SMILES
- CC=C1C(=C2C=C3C(=CC)C(=C(N3)C=C4C(=C(C(=CC5=C(C(=C(N5)C=C1N2)C)CCC(=O)O)N4)CCC(=O)O)C)C)C
- InChI
- InChI=1S/C34H38N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-38H,9-12H2,1-6H3,(H,39,40)(H,41,42)
- InChIKey
- WPVGKSBEZSOQJZ-UHFFFAOYSA-N
- Compound name
- 3-[18-(2-carboxyethyl)-8,13-di(ethylidene)-3,7,12,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 567.29658 | 242.8 |
[M+Na]+ | 589.27852 | 252.2 |
[M-H]- | 565.28202 | 238.9 |
[M+NH4]+ | 584.32312 | 250.1 |
[M+K]+ | 605.25246 | 245.3 |
[M+H-H2O]+ | 549.28656 | 244.0 |
[M+HCOO]- | 611.28750 | 250.2 |
[M+CH3COO]- | 625.30315 | 246.8 |
[M+Na-2H]- | 587.26397 | 234.1 |
[M]+ | 566.28875 | 250.8 |
[M]- | 566.28985 | 250.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.