CID 3079094
Brn 4584009
Structural Information
- Molecular Formula
- C24H19ClN2O2
- SMILES
- COC1=CC=C(C=C1)C2=C3CCOC4=C(C3=NN2C5=CC=CC=C5)C=CC(=C4)Cl
- InChI
- InChI=1S/C24H19ClN2O2/c1-28-19-10-7-16(8-11-19)24-21-13-14-29-22-15-17(25)9-12-20(22)23(21)26-27(24)18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3
- InChIKey
- GRYJAYWVCKHDKF-UHFFFAOYSA-N
- Compound name
- 8-chloro-3-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 403.12078 | 198.7 |
[M+Na]+ | 425.10272 | 209.2 |
[M-H]- | 401.10622 | 209.3 |
[M+NH4]+ | 420.14732 | 209.7 |
[M+K]+ | 441.07666 | 206.1 |
[M+H-H2O]+ | 385.11076 | 188.9 |
[M+HCOO]- | 447.11170 | 211.7 |
[M+CH3COO]- | 461.12735 | 208.5 |
[M+Na-2H]- | 423.08817 | 200.9 |
[M]+ | 402.11295 | 200.6 |
[M]- | 402.11405 | 200.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.