CID 3050157

Compound 762-381

Structural Information

Molecular Formula
C20H26N4O
SMILES
CC(CNC1=CC=CC=C1C(=O)N)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H26N4O/c1-16(15-22-19-10-6-5-9-18(19)20(21)25)23-11-13-24(14-12-23)17-7-3-2-4-8-17/h2-10,16,22H,11-15H2,1H3,(H2,21,25)
InChIKey
VXCSUGZUIBRWEF-UHFFFAOYSA-N
Compound name
2-[2-(4-phenylpiperazin-1-yl)propylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

338.21066 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21794 182.6
[M+Na]+ 361.19988 184.4
[M-H]- 337.20338 187.6
[M+NH4]+ 356.24448 191.3
[M+K]+ 377.17382 179.3
[M+H-H2O]+ 321.20792 171.2
[M+HCOO]- 383.20886 199.1
[M+CH3COO]- 397.22451 217.0
[M+Na-2H]- 359.18533 183.5
[M]+ 338.21011 175.7
[M]- 338.21121 175.7
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

patents stripe