CID 9906075
Sdz-psd-958
Structural Information
- Molecular Formula
- C20H23ClN2O
- SMILES
- CC1=C(C=CC(=C1)Cl)N2CCN([C@H]3[C@H]2CC4=C(C3)C=CC=C4O)C
- InChI
- InChI=1S/C20H23ClN2O/c1-13-10-15(21)6-7-17(13)23-9-8-22(2)18-11-14-4-3-5-20(24)16(14)12-19(18)23/h3-7,10,18-19,24H,8-9,11-12H2,1-2H3/t18-,19-/m1/s1
- InChIKey
- VCFAZLUWIBQVRD-RTBURBONSA-N
- Compound name
- (4aR,10aR)-4-(4-chloro-2-methylphenyl)-1-methyl-2,3,4a,5,10,10a-hexahydrobenzo[g]quinoxalin-6-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 343.15718 | 183.7 |
[M+Na]+ | 365.13912 | 191.9 |
[M-H]- | 341.14262 | 187.2 |
[M+NH4]+ | 360.18372 | 196.9 |
[M+K]+ | 381.11306 | 184.0 |
[M+H-H2O]+ | 325.14716 | 174.1 |
[M+HCOO]- | 387.14810 | 190.8 |
[M+CH3COO]- | 401.16375 | 192.4 |
[M+Na-2H]- | 363.12457 | 185.0 |
[M]+ | 342.14935 | 181.5 |
[M]- | 342.15045 | 181.5 |