CID 5747691
Benzoic acid, 4-nitro-2-(phenylamino)-, 2-(aminothioxomethyl)hydrazide
Structural Information
- Molecular Formula
- C14H13N5O3S
- SMILES
- C1=CC=C(C=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NNC(=S)N
- InChI
- InChI=1S/C14H13N5O3S/c15-14(23)18-17-13(20)11-7-6-10(19(21)22)8-12(11)16-9-4-2-1-3-5-9/h1-8,16H,(H,17,20)(H3,15,18,23)
- InChIKey
- WAEHKYMKDHEBKC-UHFFFAOYSA-N
- Compound name
- [(2-anilino-4-nitrobenzoyl)amino]thiourea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 332.08118 | 166.9 |
[M+Na]+ | 354.06312 | 169.5 |
[M-H]- | 330.06662 | 172.4 |
[M+NH4]+ | 349.10772 | 177.8 |
[M+K]+ | 370.03706 | 160.8 |
[M+H-H2O]+ | 314.07116 | 162.1 |
[M+HCOO]- | 376.07210 | 188.4 |
[M+CH3COO]- | 390.08775 | 208.5 |
[M+Na-2H]- | 352.04857 | 171.9 |
[M]+ | 331.07335 | 161.6 |
[M]- | 331.07445 | 161.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.