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 164.4
[M+Na]+ 295.16552 178.2
[M+NH4]+ 290.21012 172.4
[M+K]+ 311.13946 173.5
[M-H]- 271.16902 168.9
[M+Na-2H]- 293.15097 172.2
[M]+ 272.17575 167.8
[M]- 272.17685 167.8
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.