CID 3065351

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

Structural Information

Molecular Formula
C11H16ClN3O3S
SMILES
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)OCCCl
InChI
InChI=1S/C11H16ClN3O3S/c1-7(2)10-14-15-11(19-10)13-8(16)3-4-9(17)18-6-5-12/h7H,3-6H2,1-2H3,(H,13,15,16)
InChIKey
LYFJBNBXOABXNF-UHFFFAOYSA-N
Compound name
2-chloroethyl 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

305.0601 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.06738 167.5
[M+Na]+ 328.04932 174.3
[M-H]- 304.05282 168.7
[M+NH4]+ 323.09392 182.7
[M+K]+ 344.02326 171.1
[M+H-H2O]+ 288.05736 160.6
[M+HCOO]- 350.05830 178.8
[M+CH3COO]- 364.07395 201.7
[M+Na-2H]- 326.03477 165.4
[M]+ 305.05955 174.3
[M]- 305.06065 174.3
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.