CID 5437090
Brn 4593318
Structural Information
- Molecular Formula
- C20H25N5O3S
- SMILES
- CS(=O)(=O)C1=CC=C(C=C1)/C(=N\NC(=O)N)/CN2CCN(CC2)C3=CC=CC=C3
- InChI
- InChI=1S/C20H25N5O3S/c1-29(27,28)18-9-7-16(8-10-18)19(22-23-20(21)26)15-24-11-13-25(14-12-24)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H3,21,23,26)/b22-19-
- InChIKey
- HMFSHCFGGDLBSY-QOCHGBHMSA-N
- Compound name
- [(E)-[1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethylidene]amino]urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 416.17510 | 195.6 |
[M+Na]+ | 438.15704 | 198.1 |
[M-H]- | 414.16054 | 202.1 |
[M+NH4]+ | 433.20164 | 202.1 |
[M+K]+ | 454.13098 | 193.0 |
[M+H-H2O]+ | 398.16508 | 184.8 |
[M+HCOO]- | 460.16602 | 209.0 |
[M+CH3COO]- | 474.18167 | 229.5 |
[M+Na-2H]- | 436.14249 | 197.5 |
[M]+ | 415.16727 | 192.2 |
[M]- | 415.16837 | 192.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.