CID 135452289

Nsc631560

Structural Information

Molecular Formula
C14H14ClN3O2S
SMILES
C=CCN=C1NC(=O)C(S1)CC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H14ClN3O2S/c1-2-6-16-14-18-13(20)11(21-14)8-12(19)17-10-5-3-4-9(15)7-10/h2-5,7,11H,1,6,8H2,(H,17,19)(H,16,18,20)
InChIKey
GYUBDLAWWGIGOY-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-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

323.04953 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.05681 174.5
[M+Na]+ 346.03875 181.6
[M-H]- 322.04225 179.8
[M+NH4]+ 341.08335 190.0
[M+K]+ 362.01269 174.7
[M+H-H2O]+ 306.04679 167.6
[M+HCOO]- 368.04773 187.8
[M+CH3COO]- 382.06338 206.4
[M+Na-2H]- 344.02420 172.7
[M]+ 323.04898 175.3
[M]- 323.05008 175.3
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.