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

3
Patents

338.21066 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.217936 182.6
[M+Na]+ 361.199878 184.4
[M-H]- 337.203384 187.6
[M+NH4]+ 356.244483 191.3
[M+K]+ 377.173818 179.3
[M+H-H2O]+ 321.207920 171.2
[M+HCOO]- 383.208861 199.1
[M+CH3COO]- 397.224511 217.0
[M+Na-2H]- 359.185326 183.5
[M]+ 338.21011142 175.7
[M]- 338.21120858 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