CID 1590356
623935-38-6
Structural Information
- Molecular Formula
- C25H17N5O2S2
- SMILES
- COC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)/SC3=N2
- InChI
- InChI=1S/C25H17N5O2S2/c1-32-19-11-9-16(10-12-19)23-26-25-30(28-23)24(31)21(34-25)14-17-15-29(18-6-3-2-4-7-18)27-22(17)20-8-5-13-33-20/h2-15H,1H3/b21-14-
- InChIKey
- CXEVCISNQZLPBJ-STZFKDTASA-N
- Compound name
- (5Z)-2-(4-methoxyphenyl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 484.08965 | 211.7 |
[M+Na]+ | 506.07159 | 228.4 |
[M-H]- | 482.07509 | 227.7 |
[M+NH4]+ | 501.11619 | 223.4 |
[M+K]+ | 522.04553 | 221.4 |
[M+H-H2O]+ | 466.07963 | 206.6 |
[M+HCOO]- | 528.08057 | 228.2 |
[M+CH3COO]- | 542.09622 | 223.4 |
[M+Na-2H]- | 504.05704 | 204.6 |
[M]+ | 483.08182 | 222.9 |
[M]- | 483.08292 | 222.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.