CID 3065350

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

Structural Information

Molecular Formula
C10H15N3O3S
SMILES
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)OC
InChI
InChI=1S/C10H15N3O3S/c1-6(2)9-12-13-10(17-9)11-7(14)4-5-8(15)16-3/h6H,4-5H2,1-3H3,(H,11,13,14)
InChIKey
DBRITJQSFBBWFM-UHFFFAOYSA-N
Compound name
methyl 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

257.0834 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09068 158.2
[M+Na]+ 280.07262 165.0
[M-H]- 256.07612 159.5
[M+NH4]+ 275.11722 174.5
[M+K]+ 296.04656 163.7
[M+H-H2O]+ 240.08066 150.8
[M+HCOO]- 302.08160 174.4
[M+CH3COO]- 316.09725 195.1
[M+Na-2H]- 278.05807 156.8
[M]+ 257.08285 162.9
[M]- 257.08395 162.9
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.