CID 49124

Carbamic acid, dimethyl-, p-(n-methyl-n-(2-pyridyl)amino)phenyl ester, hydrochloride

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CN(C)C(=O)OC1=CC=C(C=C1)N(C)C2=CC=CC=N2
InChI
InChI=1S/C15H17N3O2/c1-17(2)15(19)20-13-9-7-12(8-10-13)18(3)14-6-4-5-11-16-14/h4-11H,1-3H3
InChIKey
VHWNHGUVVVGIRG-UHFFFAOYSA-N
Compound name
[4-[methyl(pyridin-2-yl)amino]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 162.6
[M+Na]+ 294.121298 168.2
[M-H]- 270.124804 170.7
[M+NH4]+ 289.165903 177.8
[M+K]+ 310.095238 167.7
[M+H-H2O]+ 254.129340 153.0
[M+HCOO]- 316.130281 188.0
[M+CH3COO]- 330.145931 208.3
[M+Na-2H]- 292.106746 167.7
[M]+ 271.13153142 165.4
[M]- 271.13262858 165.4
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.