CID 4640043

3-(2-(4-ethylanilino)-2-oxoethyl)-1-methyl-1h-imidazol-3-ium chloride

Structural Information

Molecular Formula
C14H18N3O
SMILES
CCC1=CC=C(C=C1)NC(=O)CN2C=C[N+](=C2)C
InChI
InChI=1S/C14H17N3O/c1-3-12-4-6-13(7-5-12)15-14(18)10-17-9-8-16(2)11-17/h4-9,11H,3,10H2,1-2H3/p+1
InChIKey
ISRWMBGWRLUJJA-UHFFFAOYSA-O
Compound name
N-(4-ethylphenyl)-2-(3-methylimidazol-3-ium-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.14499 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.15227 157.8
[M+Na]+ 267.13421 165.2
[M-H]- 243.13771 162.5
[M+NH4]+ 262.17881 173.9
[M+K]+ 283.10815 156.1
[M+H-H2O]+ 227.14225 151.8
[M+HCOO]- 289.14319 180.5
[M+CH3COO]- 303.15884 188.8
[M+Na-2H]- 265.11966 163.7
[M]+ 244.14444 157.5
[M]- 244.14554 157.5
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.