CID 57937197
D 131
Structural Information
- Molecular Formula
- C35H28N2O2
- SMILES
- C1CC2C(C1)N(C3=C2C=C(C=C3)/C=C(\C#N)/C(=O)O)C4=CC=C(C=C4)C=C(C5=CC=CC=C5)C6=CC=CC=C6
- InChI
- InChI=1S/C35H28N2O2/c36-23-28(35(38)39)20-25-16-19-34-32(22-25)30-12-7-13-33(30)37(34)29-17-14-24(15-18-29)21-31(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-11,14-22,30,33H,7,12-13H2,(H,38,39)/b28-20+
- InChIKey
- GOTRYMLNXIJMCB-VFCFBJKWSA-N
- Compound name
- (E)-2-cyano-3-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]prop-2-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 509.22238 | 237.7 |
[M+Na]+ | 531.20432 | 244.3 |
[M-H]- | 507.20782 | 244.7 |
[M+NH4]+ | 526.24892 | 244.3 |
[M+K]+ | 547.17826 | 229.0 |
[M+H-H2O]+ | 491.21236 | 220.7 |
[M+HCOO]- | 553.21330 | 246.8 |
[M+CH3COO]- | 567.22895 | 241.0 |
[M+Na-2H]- | 529.18977 | 229.2 |
[M]+ | 508.21455 | 228.1 |
[M]- | 508.21565 | 228.1 |