CID 135416192

Nsc631562

Structural Information

Molecular Formula
C15H17N3O2S
SMILES
CC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NCC=C)S2
InChI
InChI=1S/C15H17N3O2S/c1-3-8-16-15-18-14(20)12(21-15)9-13(19)17-11-6-4-10(2)5-7-11/h3-7,12H,1,8-9H2,2H3,(H,17,19)(H,16,18,20)
InChIKey
ZWVXUTXSBVVOKF-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.10416 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11144 171.0
[M+Na]+ 326.09338 177.1
[M-H]- 302.09688 176.2
[M+NH4]+ 321.13798 186.4
[M+K]+ 342.06732 171.6
[M+H-H2O]+ 286.10142 163.2
[M+HCOO]- 348.10236 188.6
[M+CH3COO]- 362.11801 205.8
[M+Na-2H]- 324.07883 169.2
[M]+ 303.10361 170.2
[M]- 303.10471 170.2
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.