CID 16429033

623935-86-4

Structural Information

Molecular Formula
C26H27N3O4S2
SMILES
CCOCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C26H27N3O4S2/c1-4-33-14-8-13-28-25(30)23(35-26(28)34)16-19-17-29(20-9-6-5-7-10-20)27-24(19)18-11-12-21(31-2)22(15-18)32-3/h5-7,9-12,15-17H,4,8,13-14H2,1-3H3/b23-16-
InChIKey
SMYILVWTQXAINB-KQWNVCNZSA-N
Compound name
(5Z)-5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(3-ethoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.1443 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.15158 223.0
[M+Na]+ 532.13352 235.3
[M+NH4]+ 527.17812 228.2
[M+K]+ 548.10746 227.1
[M-H]- 508.13702 227.8
[M+Na-2H]- 530.11897 228.0
[M]+ 509.14375 226.9
[M]- 509.14485 226.9
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.