CID 3065359

Succinamic acid, n-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, p-chlorophenyl ester

Structural Information

Molecular Formula
C15H16ClN3O3S
SMILES
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H16ClN3O3S/c1-9(2)14-18-19-15(23-14)17-12(20)7-8-13(21)22-11-5-3-10(16)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,17,19,20)
InChIKey
CCTIZJYGHFIJRG-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0601 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.067376 179.1
[M+Na]+ 376.049318 186.5
[M-H]- 352.052824 183.8
[M+NH4]+ 371.093923 192.3
[M+K]+ 392.023258 182.0
[M+H-H2O]+ 336.057360 171.4
[M+HCOO]- 398.058301 190.7
[M+CH3COO]- 412.073951 210.4
[M+Na-2H]- 374.034766 177.0
[M]+ 353.05955142 185.7
[M]- 353.06064858 185.7
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.