CID 3317861
303060-23-3
Structural Information
- Molecular Formula
- C27H21ClN2O
- SMILES
- CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Cl
- InChI
- InChI=1S/C27H21ClN2O/c1-17-6-8-19(9-7-17)27-30-25(23-15-22(28)12-13-26(23)31-27)16-24(29-30)21-11-10-18-4-2-3-5-20(18)14-21/h2-15,25,27H,16H2,1H3
- InChIKey
- CZQZDTLCAQYKNX-UHFFFAOYSA-N
- Compound name
- 9-chloro-5-(4-methylphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 425.14153 | 205.9 |
[M+Na]+ | 447.12347 | 215.9 |
[M-H]- | 423.12697 | 215.6 |
[M+NH4]+ | 442.16807 | 216.9 |
[M+K]+ | 463.09741 | 207.2 |
[M+H-H2O]+ | 407.13151 | 193.7 |
[M+HCOO]- | 469.13245 | 215.4 |
[M+CH3COO]- | 483.14810 | 214.6 |
[M+Na-2H]- | 445.10892 | 207.0 |
[M]+ | 424.13370 | 207.8 |
[M]- | 424.13480 | 207.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.