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]+ 290.095776 159.8
[M+Na]+ 312.077718 167.0
[M-H]- 288.081224 168.4
[M+NH4]+ 307.122323 170.8
[M+K]+ 328.051658 161.2
[M+H-H2O]+ 272.085760 152.3
[M+HCOO]- 334.086701 178.3
[M+CH3COO]- 348.102351 203.3
[M+Na-2H]- 310.063166 160.3
[M]+ 289.08795142 160.4
[M]- 289.08904858 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.