CID 81156

6649-36-1

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
CC(=O)N=C1N(CCS1)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H14N2O2S/c1-10(16)14-13-15(7-8-18-13)9-12(17)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3
InChIKey
KSMULDOXJNPNBD-UHFFFAOYSA-N
Compound name
N-(3-phenacyl-1,3-thiazolidin-2-ylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.0776 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.084876 160.3
[M+Na]+ 285.066818 166.4
[M-H]- 261.070324 166.9
[M+NH4]+ 280.111423 178.0
[M+K]+ 301.040758 163.6
[M+H-H2O]+ 245.074860 152.7
[M+HCOO]- 307.075801 178.1
[M+CH3COO]- 321.091451 196.4
[M+Na-2H]- 283.052266 159.4
[M]+ 262.07705142 160.8
[M]- 262.07814858 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.