CID 56009
Rolafagrel
Structural Information
- Molecular Formula
- C14H12N2O2
- SMILES
- C1CC(=CC2=C1C=CC(=C2)C(=O)O)N3C=CN=C3
- InChI
- InChI=1S/C14H12N2O2/c17-14(18)11-2-1-10-3-4-13(8-12(10)7-11)16-6-5-15-9-16/h1-2,5-9H,3-4H2,(H,17,18)
- InChIKey
- DQEDSIVMYUUZCK-UHFFFAOYSA-N
- Compound name
- 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 241.09715 | 152.6 |
[M+Na]+ | 263.07909 | 160.8 |
[M-H]- | 239.08259 | 156.5 |
[M+NH4]+ | 258.12369 | 169.3 |
[M+K]+ | 279.05303 | 156.4 |
[M+H-H2O]+ | 223.08713 | 144.5 |
[M+HCOO]- | 285.08807 | 171.7 |
[M+CH3COO]- | 299.10372 | 164.5 |
[M+Na-2H]- | 261.06454 | 157.0 |
[M]+ | 240.08932 | 151.3 |
[M]- | 240.09042 | 151.3 |