CID 3058638

75449-68-2

Structural Information

Molecular Formula
C20H27N3O2
SMILES
CCN(CC)CCOC(=O)C1=C(N=CC=C1)N(CC)C2=CC=CC=C2
InChI
InChI=1S/C20H27N3O2/c1-4-22(5-2)15-16-25-20(24)18-13-10-14-21-19(18)23(6-3)17-11-8-7-9-12-17/h7-14H,4-6,15-16H2,1-3H3
InChIKey
BYAGAYFMWJCDJD-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(N-ethylanilino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.21761 185.5
[M+Na]+ 364.19955 188.7
[M-H]- 340.20305 192.4
[M+NH4]+ 359.24415 197.6
[M+K]+ 380.17349 187.0
[M+H-H2O]+ 324.20759 174.7
[M+HCOO]- 386.20853 209.1
[M+CH3COO]- 400.22418 223.7
[M+Na-2H]- 362.18500 187.8
[M]+ 341.20978 189.9
[M]- 341.21088 189.9
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.