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]+ 354.06738 179.1
[M+Na]+ 376.04932 186.5
[M-H]- 352.05282 183.8
[M+NH4]+ 371.09392 192.3
[M+K]+ 392.02326 182.0
[M+H-H2O]+ 336.05736 171.4
[M+HCOO]- 398.05830 190.7
[M+CH3COO]- 412.07395 210.4
[M+Na-2H]- 374.03477 177.0
[M]+ 353.05955 185.7
[M]- 353.06065 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.