CID 16429454

623933-04-0

Structural Information

Molecular Formula
C26H27N3O2S2
SMILES
CCC(C)N1C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)OC(C)C)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C26H27N3O2S2/c1-5-18(4)29-25(30)23(33-26(29)32)15-20-16-28(21-9-7-6-8-10-21)27-24(20)19-11-13-22(14-12-19)31-17(2)3/h6-18H,5H2,1-4H3/b23-15-
InChIKey
KBFRDJWVWOWKGQ-HAHDFKILSA-N
Compound name
(5Z)-3-butan-2-yl-5-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.15448 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.16176 213.2
[M+Na]+ 500.14370 225.5
[M+NH4]+ 495.18830 219.4
[M+K]+ 516.11764 217.8
[M-H]- 476.14720 218.6
[M+Na-2H]- 498.12915 219.0
[M]+ 477.15393 217.4
[M]- 477.15503 217.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.