CID 3058636

75449-67-1

Structural Information

Molecular Formula
C19H25N3O2
SMILES
CCN(C1=CC=CC=C1)C2=C(C=CC=N2)C(=O)OCCCN(C)C
InChI
InChI=1S/C19H25N3O2/c1-4-22(16-10-6-5-7-11-16)18-17(12-8-13-20-18)19(23)24-15-9-14-21(2)3/h5-8,10-13H,4,9,14-15H2,1-3H3
InChIKey
XCIREFIZVLITJE-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 2-(N-ethylanilino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.19467 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 180.9
[M+Na]+ 350.18389 184.6
[M-H]- 326.18739 188.0
[M+NH4]+ 345.22849 193.6
[M+K]+ 366.15783 183.1
[M+H-H2O]+ 310.19193 170.3
[M+HCOO]- 372.19287 204.8
[M+CH3COO]- 386.20852 220.8
[M+Na-2H]- 348.16934 183.8
[M]+ 327.19412 185.0
[M]- 327.19522 185.0
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.