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]+ 273.18358 167.2
[M+Na]+ 295.16552 173.6
[M-H]- 271.16902 171.4
[M+NH4]+ 290.21012 182.0
[M+K]+ 311.13946 164.0
[M+H-H2O]+ 255.17356 160.7
[M+HCOO]- 317.17450 189.1
[M+CH3COO]- 331.19015 194.8
[M+Na-2H]- 293.15097 171.9
[M]+ 272.17575 167.5
[M]- 272.17685 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.