CID 3058650

3-pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CN(C)CCCOC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2
InChI
InChI=1S/C17H21N3O2/c1-20(2)12-7-13-22-17(21)15-10-6-11-18-16(15)19-14-8-4-3-5-9-14/h3-6,8-11H,7,12-13H2,1-2H3,(H,18,19)
InChIKey
VBXOXWBVYTXVCV-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 2-anilinopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1634 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.170676 171.4
[M+Na]+ 322.152618 175.8
[M-H]- 298.156124 177.5
[M+NH4]+ 317.197223 184.7
[M+K]+ 338.126558 173.4
[M+H-H2O]+ 282.160660 161.4
[M+HCOO]- 344.161601 195.6
[M+CH3COO]- 358.177251 211.5
[M+Na-2H]- 320.138066 176.1
[M]+ 299.16285142 173.6
[M]- 299.16394858 173.6
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.