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]+ 270.12708 158.6
[M+Na]+ 292.10902 164.9
[M-H]- 268.11252 164.1
[M+NH4]+ 287.15362 170.6
[M+K]+ 308.08296 160.0
[M+H-H2O]+ 252.11706 151.6
[M+HCOO]- 314.11800 174.8
[M+CH3COO]- 328.13365 202.5
[M+Na-2H]- 290.09447 156.5
[M]+ 269.11925 160.2
[M]- 269.12035 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.