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]+ 272.13936 162.6
[M+Na]+ 294.12130 168.2
[M-H]- 270.12480 170.7
[M+NH4]+ 289.16590 177.8
[M+K]+ 310.09524 167.7
[M+H-H2O]+ 254.12934 153.0
[M+HCOO]- 316.13028 188.0
[M+CH3COO]- 330.14593 208.3
[M+Na-2H]- 292.10675 167.7
[M]+ 271.13153 165.4
[M]- 271.13263 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.