CID 129240409

Chembl4570131

Structural Information

Molecular Formula
C23H25N3O2
SMILES
CC1=CC(=NC=C1CNCCO)C(=O)NC2=CC=CC(=C2C)C3=CC=CC=C3
InChI
InChI=1S/C23H25N3O2/c1-16-13-22(25-15-19(16)14-24-11-12-27)23(28)26-21-10-6-9-20(17(21)2)18-7-4-3-5-8-18/h3-10,13,15,24,27H,11-12,14H2,1-2H3,(H,26,28)
InChIKey
JIWMSDANMZCAFN-UHFFFAOYSA-N
Compound name
5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

375.19467 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 195.2
[M+Na]+ 398.18389 209.1
[M+NH4]+ 393.22849 201.7
[M+K]+ 414.15783 200.5
[M-H]- 374.18739 201.8
[M+Na-2H]- 396.16934 204.5
[M]+ 375.19412 199.0
[M]- 375.19522 199.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe