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]+ 342.217606 185.5
[M+Na]+ 364.199548 188.7
[M-H]- 340.203054 192.4
[M+NH4]+ 359.244153 197.6
[M+K]+ 380.173488 187.0
[M+H-H2O]+ 324.207590 174.7
[M+HCOO]- 386.208531 209.1
[M+CH3COO]- 400.224181 223.7
[M+Na-2H]- 362.184996 187.8
[M]+ 341.20978142 189.9
[M]- 341.21087858 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.