CID 3051429

Ro 1-5418

Structural Information

Molecular Formula
C15H17N2O2
SMILES
C[N+]1=CC=CC(=C1)OC(=O)N(C)CC2=CC=CC=C2
InChI
InChI=1S/C15H17N2O2/c1-16-10-6-9-14(12-16)19-15(18)17(2)11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3/q+1
InChIKey
GGLMSIRJTKPAEJ-UHFFFAOYSA-N
Compound name
(1-methylpyridin-1-ium-3-yl) N-benzyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.129 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13628 157.1
[M+Na]+ 280.11822 172.9
[M+NH4]+ 275.16282 166.2
[M+K]+ 296.09216 166.6
[M-H]- 256.12172 163.4
[M+Na-2H]- 278.10367 167.7
[M]+ 257.12845 161.5
[M]- 257.12955 161.5
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.