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 161.9
[M+Na]+ 292.10902 169.2
[M+NH4]+ 287.15362 168.5
[M+K]+ 308.08296 166.4
[M-H]- 268.11252 169.8
[M+Na-2H]- 290.09447 166.1
[M]+ 269.11925 166.1
[M]- 269.12035 166.1
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.