CID 3051447

Ro 2-2317

Structural Information

Molecular Formula
C16H20N3O2
SMILES
C[N+]1=CC=CC=C1N(C)C2=CC=C(C=C2)OC(=O)N(C)C
InChI
InChI=1S/C16H20N3O2/c1-17(2)16(20)21-14-10-8-13(9-11-14)19(4)15-7-5-6-12-18(15)3/h5-12H,1-4H3/q+1
InChIKey
HDLAFZATZDBEHB-UHFFFAOYSA-N
Compound name
[4-[methyl-(1-methylpyridin-1-ium-2-yl)amino]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.15555 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16283 168.4
[M+Na]+ 309.14477 174.2
[M-H]- 285.14827 176.9
[M+NH4]+ 304.18937 183.0
[M+K]+ 325.11871 168.0
[M+H-H2O]+ 269.15281 161.5
[M+HCOO]- 331.15375 193.1
[M+CH3COO]- 345.16940 205.3
[M+Na-2H]- 307.13022 174.5
[M]+ 286.15500 170.5
[M]- 286.15610 170.5
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.