CID 128018

Gr-55562

Structural Information

Molecular Formula
C23H25N3O2
SMILES
CN(C)CCCC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=NC=C3)O
InChI
InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)
InChIKey
ZAGAUUVCYGSPBP-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-4-hydroxy-N-(4-pyridin-4-ylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

46
References

39
Patents

375.19467 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 192.7
[M+Na]+ 398.18389 197.0
[M-H]- 374.18739 200.6
[M+NH4]+ 393.22849 202.0
[M+K]+ 414.15783 192.0
[M+H-H2O]+ 358.19193 181.5
[M+HCOO]- 420.19287 214.4
[M+CH3COO]- 434.20852 225.3
[M+Na-2H]- 396.16934 195.0
[M]+ 375.19412 193.2
[M]- 375.19522 193.2
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