CID 10073773
Suvn-502
Structural Information
- Molecular Formula
- C21H24BrN3O3S
- SMILES
- CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4Br
- InChI
- InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,15H,9-12,14H2,1-2H3
- InChIKey
- GWCYPEHWIZXYFZ-UHFFFAOYSA-N
- Compound name
- 1-(2-bromophenyl)sulfonyl-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 478.07945 | 198.0 |
[M+Na]+ | 500.06139 | 209.9 |
[M-H]- | 476.06489 | 207.6 |
[M+NH4]+ | 495.10599 | 209.8 |
[M+K]+ | 516.03533 | 197.2 |
[M+H-H2O]+ | 460.06943 | 196.3 |
[M+HCOO]- | 522.07037 | 208.1 |
[M+CH3COO]- | 536.08602 | 209.0 |
[M+Na-2H]- | 498.04684 | 199.9 |
[M]+ | 477.07162 | 220.2 |
[M]- | 477.07272 | 220.2 |