CID 9579250

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

Structural Information

Molecular Formula
C24H17N7O3S3
SMILES
C1=CC=C(C=C1)C2=CS/C(=N/NC(=O)CSC3=NN=C(S3)C4=CC=CC=N4)/N2C5=CC(=CC=C5)[N+](=O)[O-]
InChI
InChI=1S/C24H17N7O3S3/c32-21(15-36-24-29-27-22(37-24)19-11-4-5-12-25-19)26-28-23-30(17-9-6-10-18(13-17)31(33)34)20(14-35-23)16-7-2-1-3-8-16/h1-14H,15H2,(H,26,32)/b28-23+
InChIKey
WVMXRDVEZUMCGH-WEMUOSSPSA-N
Compound name
N-[(E)-[3-(3-nitrophenyl)-4-phenyl-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

547.0555 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.06278 216.0
[M+Na]+ 570.04472 223.5
[M-H]- 546.04822 228.4
[M+NH4]+ 565.08932 219.0
[M+K]+ 586.01866 209.7
[M+H-H2O]+ 530.05276 211.1
[M+HCOO]- 592.05370 227.3
[M+CH3COO]- 606.06935 238.7
[M+Na-2H]- 568.03017 220.5
[M]+ 547.05495 216.5
[M]- 547.05605 216.5
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.