CID 9579229

Acetic acid, [[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]thio]-, [(2e)-3,4-diphenyl-2(3h)-thiazolylidene]hydrazide

Structural Information

Molecular Formula
C24H18N6OS3
SMILES
C1=CC=C(C=C1)C2=CS/C(=N/NC(=O)CSC3=NN=C(S3)C4=CC=CC=N4)/N2C5=CC=CC=C5
InChI
InChI=1S/C24H18N6OS3/c31-21(16-33-24-29-27-22(34-24)19-13-7-8-14-25-19)26-28-23-30(18-11-5-2-6-12-18)20(15-32-23)17-9-3-1-4-10-17/h1-15H,16H2,(H,26,31)/b28-23+
InChIKey
IGOQGJQNJSHUNB-WEMUOSSPSA-N
Compound name
N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

502.07043 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.07771 209.1
[M+Na]+ 525.05965 221.0
[M-H]- 501.06315 221.7
[M+NH4]+ 520.10425 215.8
[M+K]+ 541.03359 210.4
[M+H-H2O]+ 485.06769 201.3
[M+HCOO]- 547.06863 220.6
[M+CH3COO]- 561.08428 217.8
[M+Na-2H]- 523.04510 209.8
[M]+ 502.06988 213.2
[M]- 502.07098 213.2
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.