CID 1975884

624724-24-9

Structural Information

Molecular Formula
C26H27N3O3S2
SMILES
CC(C)COC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCOC)C4=CC=CC=C4
InChI
InChI=1S/C26H27N3O3S2/c1-18(2)17-32-22-11-9-19(10-12-22)24-20(16-29(27-24)21-7-5-4-6-8-21)15-23-25(30)28(13-14-31-3)26(33)34-23/h4-12,15-16,18H,13-14,17H2,1-3H3/b23-15-
InChIKey
VDFSKKCFJDLMMO-HAHDFKILSA-N
Compound name
(5Z)-3-(2-methoxyethyl)-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.14938 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.15666 217.5
[M+Na]+ 516.13860 229.7
[M+NH4]+ 511.18320 223.2
[M+K]+ 532.11254 221.6
[M-H]- 492.14210 222.6
[M+Na-2H]- 514.12405 223.0
[M]+ 493.14883 221.5
[M]- 493.14993 221.5
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.