CID 2729859

Chembl2234893

Structural Information

Molecular Formula
C20H25N3O2
SMILES
C1CN(CCN1CCCOC2=CC=CC=C2C(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C20H25N3O2/c21-20(24)18-9-4-5-10-19(18)25-16-6-11-22-12-14-23(15-13-22)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H2,21,24)
InChIKey
GBSHKERFECNDBW-UHFFFAOYSA-N
Compound name
2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

339.19467 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.201946 182.9
[M+Na]+ 362.183888 185.7
[M-H]- 338.187394 187.7
[M+NH4]+ 357.228493 191.9
[M+K]+ 378.157828 180.5
[M+H-H2O]+ 322.191930 171.3
[M+HCOO]- 384.192871 199.4
[M+CH3COO]- 398.208521 213.0
[M+Na-2H]- 360.169336 184.2
[M]+ 339.19412142 178.5
[M]- 339.19521858 178.5
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