CID 53672093
1368661-06-6
Structural Information
- Molecular Formula
- C15H13NO
- SMILES
- C1CNC(=O)C2=C1C=CC(=C2)C3=CC=CC=C3
- InChI
- InChI=1S/C15H13NO/c17-15-14-10-13(11-4-2-1-3-5-11)7-6-12(14)8-9-16-15/h1-7,10H,8-9H2,(H,16,17)
- InChIKey
- YONOZPRRPDZFDW-UHFFFAOYSA-N
- Compound name
- 7-phenyl-3,4-dihydro-2H-isoquinolin-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 224.10700 | 148.8 |
[M+Na]+ | 246.08894 | 156.1 |
[M-H]- | 222.09244 | 153.4 |
[M+NH4]+ | 241.13354 | 165.7 |
[M+K]+ | 262.06288 | 150.4 |
[M+H-H2O]+ | 206.09698 | 140.8 |
[M+HCOO]- | 268.09792 | 167.4 |
[M+CH3COO]- | 282.11357 | 160.5 |
[M+Na-2H]- | 244.07439 | 155.7 |
[M]+ | 223.09917 | 144.2 |
[M]- | 223.10027 | 144.2 |