CID 6889019
634897-33-9
Structural Information
- Molecular Formula
- C22H17ClN4O2S
- SMILES
- C1=CC=C(C(=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=CS4)Cl
- InChI
- InChI=1S/C22H17ClN4O2S/c23-19-6-2-1-4-16(19)14-29-17-9-7-15(8-10-17)20-12-21(26-25-20)22(28)27-24-13-18-5-3-11-30-18/h1-13H,14H2,(H,25,26)(H,27,28)/b24-13+
- InChIKey
- GKJBQXJAFKJCHF-ZMOGYAJESA-N
- Compound name
- 3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 437.08336 | 201.6 |
[M+Na]+ | 459.06530 | 210.6 |
[M-H]- | 435.06880 | 213.4 |
[M+NH4]+ | 454.10990 | 212.7 |
[M+K]+ | 475.03924 | 202.6 |
[M+H-H2O]+ | 419.07334 | 192.2 |
[M+HCOO]- | 481.07428 | 218.8 |
[M+CH3COO]- | 495.08993 | 211.6 |
[M+Na-2H]- | 457.05075 | 201.1 |
[M]+ | 436.07553 | 207.8 |
[M]- | 436.07663 | 207.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.