CID 5463490

Nsc 96925

Structural Information

Molecular Formula
C14H17N2OS
SMILES
CC(=O)N(/C=C/C1=[N+](CCS1)C)C2=CC=CC=C2
InChI
InChI=1S/C14H17N2OS/c1-12(17)16(13-6-4-3-5-7-13)9-8-14-15(2)10-11-18-14/h3-9H,10-11H2,1-2H3/q+1
InChIKey
FELQJEPGNLWVSU-UHFFFAOYSA-N
Compound name
N-[(E)-2-(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.10617 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11345 161.0
[M+Na]+ 284.09539 167.4
[M-H]- 260.09889 168.1
[M+NH4]+ 279.13999 178.7
[M+K]+ 300.06933 158.7
[M+H-H2O]+ 244.10343 155.9
[M+HCOO]- 306.10437 179.2
[M+CH3COO]- 320.12002 190.9
[M+Na-2H]- 282.08084 162.8
[M]+ 261.10562 161.0
[M]- 261.10672 161.0
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.