CID 135546196
172701-57-4
Structural Information
- Molecular Formula
- C18H15ClN8O4S
- SMILES
- COC1=C(N(N=C1C(=O)NNC(=S)N)C2=CC(=CC=C2)Cl)N=NC3=CC=C(C=C3)[N+](=O)[O-]
- InChI
- InChI=1S/C18H15ClN8O4S/c1-31-15-14(17(28)23-24-18(20)32)25-26(13-4-2-3-10(19)9-13)16(15)22-21-11-5-7-12(8-6-11)27(29)30/h2-9H,1H3,(H,23,28)(H3,20,24,32)
- InChIKey
- CZUWJGFACCGNNV-UHFFFAOYSA-N
- Compound name
- [[1-(3-chlorophenyl)-4-methoxy-5-[(4-nitrophenyl)diazenyl]pyrazole-3-carbonyl]amino]thiourea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 475.06984 | 204.7 |
[M+Na]+ | 497.05178 | 208.9 |
[M-H]- | 473.05528 | 214.6 |
[M+NH4]+ | 492.09638 | 211.1 |
[M+K]+ | 513.02572 | 199.9 |
[M+H-H2O]+ | 457.05982 | 198.6 |
[M+HCOO]- | 519.06076 | 224.1 |
[M+CH3COO]- | 533.07641 | 239.1 |
[M+Na-2H]- | 495.03723 | 209.1 |
[M]+ | 474.06201 | 206.7 |
[M]- | 474.06311 | 206.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.