CID 53582850

2-(propan-2-yloxy)-n-[5-(pyridin-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
CC(C)OC1=CC=CC=C1C(=O)NC2=NN=C(S2)C3=CC=CC=N3
InChI
InChI=1S/C17H16N4O2S/c1-11(2)23-14-9-4-3-7-12(14)15(22)19-17-21-20-16(24-17)13-8-5-6-10-18-13/h3-11H,1-2H3,(H,19,21,22)
InChIKey
ZXIQIBLTZUSEPA-UHFFFAOYSA-N
Compound name
2-propan-2-yloxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0994 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10668 177.5
[M+Na]+ 363.08862 185.1
[M-H]- 339.09212 184.1
[M+NH4]+ 358.13322 188.6
[M+K]+ 379.06256 180.2
[M+H-H2O]+ 323.09666 167.6
[M+HCOO]- 385.09760 193.9
[M+CH3COO]- 399.11325 187.7
[M+Na-2H]- 361.07407 178.2
[M]+ 340.09885 180.6
[M]- 340.09995 180.6
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.