CID 4993212
303059-95-2
Structural Information
- Molecular Formula
- C27H18Cl2N2O2
- SMILES
- C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)Cl
- InChI
- InChI=1S/C27H18Cl2N2O2/c28-20-9-7-17(8-10-20)26(32)27-31-24(22-14-21(29)11-12-25(22)33-27)15-23(30-31)19-6-5-16-3-1-2-4-18(16)13-19/h1-14,24,27H,15H2
- InChIKey
- JBOBXRUHHLBHDG-UHFFFAOYSA-N
- Compound name
- (9-chloro-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)-(4-chlorophenyl)methanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 473.08180 | 212.9 |
[M+Na]+ | 495.06374 | 222.8 |
[M-H]- | 471.06724 | 221.8 |
[M+NH4]+ | 490.10834 | 222.2 |
[M+K]+ | 511.03768 | 214.6 |
[M+H-H2O]+ | 455.07178 | 201.1 |
[M+HCOO]- | 517.07272 | 216.7 |
[M+CH3COO]- | 531.08837 | 220.6 |
[M+Na-2H]- | 493.04919 | 212.5 |
[M]+ | 472.07397 | 216.7 |
[M]- | 472.07507 | 216.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.