CID 3065358

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

Structural Information

Molecular Formula
C16H19N3O3S
SMILES
CC1=CC(=CC=C1)OC(=O)CCC(=O)NC2=NN=C(S2)C(C)C
InChI
InChI=1S/C16H19N3O3S/c1-10(2)15-18-19-16(23-15)17-13(20)7-8-14(21)22-12-6-4-5-11(3)9-12/h4-6,9-10H,7-8H2,1-3H3,(H,17,19,20)
InChIKey
CSHMXRFEXOHPMX-UHFFFAOYSA-N
Compound name
(3-methylphenyl) 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

333.11472 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12200 177.7
[M+Na]+ 356.10394 187.1
[M+NH4]+ 351.14854 183.1
[M+K]+ 372.07788 182.5
[M-H]- 332.10744 179.0
[M+Na-2H]- 354.08939 182.1
[M]+ 333.11417 179.5
[M]- 333.11527 179.5
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.