CID 3065352

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

Structural Information

Molecular Formula
C12H19N3O3S
SMILES
CCCOC(=O)CCC(=O)NC1=NN=C(S1)C(C)C
InChI
InChI=1S/C12H19N3O3S/c1-4-7-18-10(17)6-5-9(16)13-12-15-14-11(19-12)8(2)3/h8H,4-7H2,1-3H3,(H,13,15,16)
InChIKey
RCPRRHCYPTZMOH-UHFFFAOYSA-N
Compound name
propyl 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

285.11472 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.121996 167.0
[M+Na]+ 308.103938 172.8
[M-H]- 284.107444 167.9
[M+NH4]+ 303.148543 182.1
[M+K]+ 324.077878 171.1
[M+H-H2O]+ 268.111980 159.2
[M+HCOO]- 330.112921 182.5
[M+CH3COO]- 344.128571 201.0
[M+Na-2H]- 306.089386 164.7
[M]+ 285.11417142 172.4
[M]- 285.11526858 172.4
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.