CID 5127862

624726-49-4

Structural Information

Molecular Formula
C16H22N3O
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CN2C=C[N+](=C2)C
InChI
InChI=1S/C16H21N3O/c1-3-4-5-14-6-8-15(9-7-14)17-16(20)12-19-11-10-18(2)13-19/h6-11,13H,3-5,12H2,1-2H3/p+1
InChIKey
RTLGSKXZBDMSAT-UHFFFAOYSA-O
Compound name
N-(4-butylphenyl)-2-(3-methylimidazol-3-ium-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1763 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.183576 167.2
[M+Na]+ 295.165518 173.6
[M-H]- 271.169024 171.4
[M+NH4]+ 290.210123 182.0
[M+K]+ 311.139458 164.0
[M+H-H2O]+ 255.173560 160.7
[M+HCOO]- 317.174501 189.1
[M+CH3COO]- 331.190151 194.8
[M+Na-2H]- 293.150966 171.9
[M]+ 272.17575142 167.5
[M]- 272.17684858 167.5
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.