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]+ 286.12200 167.0
[M+Na]+ 308.10394 172.8
[M-H]- 284.10744 167.9
[M+NH4]+ 303.14854 182.1
[M+K]+ 324.07788 171.1
[M+H-H2O]+ 268.11198 159.2
[M+HCOO]- 330.11292 182.5
[M+CH3COO]- 344.12857 201.0
[M+Na-2H]- 306.08939 164.7
[M]+ 285.11417 172.4
[M]- 285.11527 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.