CID 16429133
623939-85-5
Structural Information
- Molecular Formula
- C26H26FN3OS2
- SMILES
- CCCCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)C)F)C4=CC=CC=C4)/SC1=S
- InChI
- InChI=1S/C26H26FN3OS2/c1-3-4-5-9-14-29-25(31)23(33-26(29)32)16-20-17-30(21-10-7-6-8-11-21)28-24(20)19-13-12-18(2)22(27)15-19/h6-8,10-13,15-17H,3-5,9,14H2,1-2H3/b23-16-
- InChIKey
- ZVDMHROESWWMOJ-KQWNVCNZSA-N
- Compound name
- (5Z)-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 480.15743 | 215.0 |
[M+Na]+ | 502.13937 | 225.4 |
[M-H]- | 478.14287 | 223.4 |
[M+NH4]+ | 497.18397 | 224.3 |
[M+K]+ | 518.11331 | 215.1 |
[M+H-H2O]+ | 462.14741 | 205.9 |
[M+HCOO]- | 524.14835 | 223.2 |
[M+CH3COO]- | 538.16400 | 223.0 |
[M+Na-2H]- | 500.12482 | 204.5 |
[M]+ | 479.14960 | 218.5 |
[M]- | 479.15070 | 218.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.