CID 2859342

N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

Structural Information

Molecular Formula
C12H13N3O2S
SMILES
C1=CC=C(C=C1)CNC(=O)CC2C(=O)N=C(S2)N
InChI
InChI=1S/C12H13N3O2S/c13-12-15-11(17)9(18-12)6-10(16)14-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,16)(H2,13,15,17)
InChIKey
DDIPBYADEICMPZ-UHFFFAOYSA-N
Compound name
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

263.07285 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08013 157.8
[M+Na]+ 286.06207 164.8
[M-H]- 262.06557 163.1
[M+NH4]+ 281.10667 174.5
[M+K]+ 302.03601 160.6
[M+H-H2O]+ 246.07011 150.2
[M+HCOO]- 308.07105 177.0
[M+CH3COO]- 322.08670 196.8
[M+Na-2H]- 284.04752 158.2
[M]+ 263.07230 157.5
[M]- 263.07340 157.5
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

patents stripe