CID 2879339
11-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
Structural Information
- Molecular Formula
- C26H23FN2O2
- SMILES
- COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)F)C(=O)C2
- InChI
- InChI=1S/C26H23FN2O2/c1-31-20-12-8-16(9-13-20)18-14-23-25(24(30)15-18)26(17-6-10-19(27)11-7-17)29-22-5-3-2-4-21(22)28-23/h2-13,18,26,28-29H,14-15H2,1H3
- InChIKey
- CILWCJWWYJOFTR-UHFFFAOYSA-N
- Compound name
- 6-(4-fluorophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 415.18163 | 203.6 |
[M+Na]+ | 437.16357 | 209.9 |
[M-H]- | 413.16707 | 209.1 |
[M+NH4]+ | 432.20817 | 211.1 |
[M+K]+ | 453.13751 | 205.4 |
[M+H-H2O]+ | 397.17161 | 192.7 |
[M+HCOO]- | 459.17255 | 213.8 |
[M+CH3COO]- | 473.18820 | 210.0 |
[M+Na-2H]- | 435.14902 | 204.3 |
[M]+ | 414.17380 | 195.4 |
[M]- | 414.17490 | 195.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.