CID 135591358

872103-35-0

Structural Information

Molecular Formula
C12H19N3O2S
SMILES
CC(C)CN=C1NC(=O)C(S1)CC(=O)NC2CC2
InChI
InChI=1S/C12H19N3O2S/c1-7(2)6-13-12-15-11(17)9(18-12)5-10(16)14-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,14,16)(H,13,15,17)
InChIKey
XOXOAMDXWUCJML-UHFFFAOYSA-N
Compound name
N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

269.1198 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.127076 158.6
[M+Na]+ 292.109018 164.9
[M-H]- 268.112524 164.1
[M+NH4]+ 287.153623 170.6
[M+K]+ 308.082958 160.0
[M+H-H2O]+ 252.117060 151.6
[M+HCOO]- 314.118001 174.8
[M+CH3COO]- 328.133651 202.5
[M+Na-2H]- 290.094466 156.5
[M]+ 269.11925142 160.2
[M]- 269.12034858 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.