CID 16072861
Chembl207156
Structural Information
- Molecular Formula
- C18H18ClN3O2S
- SMILES
- CC1=CC=CC=C1SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)NNCCO
- InChI
- InChI=1S/C18H18ClN3O2S/c1-11-4-2-3-5-15(11)25-17-13-10-12(19)6-7-14(13)21-16(17)18(24)22-20-8-9-23/h2-7,10,20-21,23H,8-9H2,1H3,(H,22,24)
- InChIKey
- DSFFQROWJJBIHS-UHFFFAOYSA-N
- Compound name
- 5-chloro-N'-(2-hydroxyethyl)-3-(2-methylphenyl)sulfanyl-1H-indole-2-carbohydrazide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 376.08808 | 183.7 |
[M+Na]+ | 398.07002 | 192.7 |
[M-H]- | 374.07352 | 188.3 |
[M+NH4]+ | 393.11462 | 197.4 |
[M+K]+ | 414.04396 | 184.4 |
[M+H-H2O]+ | 358.07806 | 177.3 |
[M+HCOO]- | 420.07900 | 196.5 |
[M+CH3COO]- | 434.09465 | 193.6 |
[M+Na-2H]- | 396.05547 | 185.2 |
[M]+ | 375.08025 | 188.5 |
[M]- | 375.08135 | 188.5 |