CID 3052988

Brn 5615558

Structural Information

Molecular Formula
C20H17N3O3
SMILES
C1=CC=C(C=C1)N(CCOC(=O)C2=CN=CC=C2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C20H17N3O3/c24-19(16-6-4-10-21-14-16)23(18-8-2-1-3-9-18)12-13-26-20(25)17-7-5-11-22-15-17/h1-11,14-15H,12-13H2
InChIKey
DHXKZHWBVSXPHA-UHFFFAOYSA-N
Compound name
2-[N-(pyridine-3-carbonyl)anilino]ethyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.12698 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13426 181.1
[M+Na]+ 370.11620 185.1
[M-H]- 346.11970 188.5
[M+NH4]+ 365.16080 190.0
[M+K]+ 386.09014 181.6
[M+H-H2O]+ 330.12424 169.0
[M+HCOO]- 392.12518 202.3
[M+CH3COO]- 406.14083 214.4
[M+Na-2H]- 368.10165 186.2
[M]+ 347.12643 182.2
[M]- 347.12753 182.2
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.