CID 41279

Brn 0565340

Structural Information

Molecular Formula
C19H24N4O
SMILES
C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C19H24N4O/c20-17-8-6-16(7-9-17)19(24)21-10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-9H,10-15,20H2,(H,21,24)
InChIKey
BZVBJRKHKCKCCY-UHFFFAOYSA-N
Compound name
4-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.195 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20228 178.4
[M+Na]+ 347.18422 181.1
[M-H]- 323.18772 183.5
[M+NH4]+ 342.22882 187.9
[M+K]+ 363.15816 175.5
[M+H-H2O]+ 307.19226 167.0
[M+HCOO]- 369.19320 196.2
[M+CH3COO]- 383.20885 212.5
[M+Na-2H]- 345.16967 181.0
[M]+ 324.19445 171.7
[M]- 324.19555 171.7
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

No patent data available for this compound.