CID 135600396

N-cyclopropyl-2-[4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide

Structural Information

Molecular Formula
C14H15N3O2S
SMILES
C1CC1NC(=O)CC2C(=O)NC(=NC3=CC=CC=C3)S2
InChI
InChI=1S/C14H15N3O2S/c18-12(15-10-6-7-10)8-11-13(19)17-14(20-11)16-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,18)(H,16,17,19)
InChIKey
LNODMCWZZCWRKU-UHFFFAOYSA-N
Compound name
N-cyclopropyl-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

289.0885 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09578 159.8
[M+Na]+ 312.07772 167.0
[M-H]- 288.08122 168.4
[M+NH4]+ 307.12232 170.8
[M+K]+ 328.05166 161.2
[M+H-H2O]+ 272.08576 152.3
[M+HCOO]- 334.08670 178.3
[M+CH3COO]- 348.10235 203.3
[M+Na-2H]- 310.06317 160.3
[M]+ 289.08795 160.4
[M]- 289.08905 160.4
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.