CID 3042143
Methanone, (4-amino-2-methyl-5-phenyl-1h-pyrrol-3-yl)phenyl-, monohydrochloride
Structural Information
- Molecular Formula
- C18H16N2O
- SMILES
- CC1=C(C(=C(N1)C2=CC=CC=C2)N)C(=O)C3=CC=CC=C3
- InChI
- InChI=1S/C18H16N2O/c1-12-15(18(21)14-10-6-3-7-11-14)16(19)17(20-12)13-8-4-2-5-9-13/h2-11,20H,19H2,1H3
- InChIKey
- KYGFWQIOYBDYBN-UHFFFAOYSA-N
- Compound name
- (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 277.13353 | 166.4 |
[M+Na]+ | 299.11547 | 180.4 |
[M+NH4]+ | 294.16007 | 174.5 |
[M+K]+ | 315.08941 | 174.6 |
[M-H]- | 275.11897 | 172.3 |
[M+Na-2H]- | 297.10092 | 175.8 |
[M]+ | 276.12570 | 170.0 |
[M]- | 276.12680 | 170.0 |