CID 10363283
Benzomalvin c
Structural Information
- Molecular Formula
- C24H17N3O3
- SMILES
- CN1C(=O)C2=CC=CC=C2N3C(=O)C4=CC=CC=C4N=C3[C@]15[C@H](O5)C6=CC=CC=C6
- InChI
- InChI=1S/C24H17N3O3/c1-26-21(28)17-12-6-8-14-19(17)27-22(29)16-11-5-7-13-18(16)25-23(27)24(26)20(30-24)15-9-3-2-4-10-15/h2-14,20H,1H3/t20-,24-/m1/s1
- InChIKey
- TWDKBDSVUUKABK-HYBUGGRVSA-N
- Compound name
- (2S,3R)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 396.13426 | 205.2 |
[M+Na]+ | 418.11620 | 218.2 |
[M-H]- | 394.11970 | 214.8 |
[M+NH4]+ | 413.16080 | 211.3 |
[M+K]+ | 434.09014 | 215.3 |
[M+H-H2O]+ | 378.12424 | 193.9 |
[M+HCOO]- | 440.12518 | 218.7 |
[M+CH3COO]- | 454.14083 | 213.8 |
[M+Na-2H]- | 416.10165 | 210.7 |
[M]+ | 395.12643 | 207.4 |
[M]- | 395.12753 | 207.4 |
Literature stripe
Patent stripe
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