CID 49108

67049-81-4

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CN(C)C(=O)OC1=C(N=CC=C1)CN(C)CC2=CC=CC=C2
InChI
InChI=1S/C17H21N3O2/c1-19(2)17(21)22-16-10-7-11-18-15(16)13-20(3)12-14-8-5-4-6-9-14/h4-11H,12-13H2,1-3H3
InChIKey
WVDDJWLDUHNWMA-UHFFFAOYSA-N
Compound name
[2-[[benzyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1634 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.170676 171.9
[M+Na]+ 322.152618 176.6
[M-H]- 298.156124 179.6
[M+NH4]+ 317.197223 186.0
[M+K]+ 338.126558 175.6
[M+H-H2O]+ 282.160660 161.8
[M+HCOO]- 344.161601 196.6
[M+CH3COO]- 358.177251 214.2
[M+Na-2H]- 320.138066 175.9
[M]+ 299.16285142 175.3
[M]- 299.16394858 175.3
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.