CID 3021380

Brn 5627899

Structural Information

Molecular Formula
C23H23N3O3
SMILES
CCC(COC(=O)C1=CN=CC=C1)N(CC2=CC=CC=C2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C23H23N3O3/c1-2-21(17-29-23(28)20-11-7-13-25-15-20)26(16-18-8-4-3-5-9-18)22(27)19-10-6-12-24-14-19/h3-15,21H,2,16-17H2,1H3
InChIKey
AJFXKVRFCKBGMW-UHFFFAOYSA-N
Compound name
2-[benzyl(pyridine-3-carbonyl)amino]butyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.17395 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18123 194.1
[M+Na]+ 412.16317 196.4
[M-H]- 388.16667 201.0
[M+NH4]+ 407.20777 201.2
[M+K]+ 428.13711 193.0
[M+H-H2O]+ 372.17121 181.6
[M+HCOO]- 434.17215 213.3
[M+CH3COO]- 448.18780 224.0
[M+Na-2H]- 410.14862 196.6
[M]+ 389.17340 195.6
[M]- 389.17450 195.6
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.