CID 2132298

Enisamium

Structural Information

Molecular Formula
C14H15N2O
SMILES
C[N+]1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C14H14N2O/c1-16-9-7-13(8-10-16)14(17)15-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/p+1
InChIKey
QOEJDHLJOKRPJG-UHFFFAOYSA-O
Compound name
N-benzyl-1-methylpyridin-1-ium-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

145
Patents

227.11844 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12572 149.9
[M+Na]+ 250.10766 166.1
[M+NH4]+ 245.15226 159.5
[M+K]+ 266.08160 159.0
[M-H]- 226.11116 156.3
[M+Na-2H]- 248.09311 160.9
[M]+ 227.11789 154.4
[M]- 227.11899 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe