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]+ 300.17068 171.4
[M+Na]+ 322.15262 175.8
[M-H]- 298.15612 177.5
[M+NH4]+ 317.19722 184.7
[M+K]+ 338.12656 173.4
[M+H-H2O]+ 282.16066 161.4
[M+HCOO]- 344.16160 195.6
[M+CH3COO]- 358.17725 211.5
[M+Na-2H]- 320.13807 176.1
[M]+ 299.16285 173.6
[M]- 299.16395 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.