CID 3050164

Compound 775-679

Structural Information

Molecular Formula
C20H26N4O
SMILES
C1CN(CCN1CCNC2=CC=CC=C2C(=O)N)CC3=CC=CC=C3
InChI
InChI=1S/C20H26N4O/c21-20(25)18-8-4-5-9-19(18)22-10-11-23-12-14-24(15-13-23)16-17-6-2-1-3-7-17/h1-9,22H,10-16H2,(H2,21,25)
InChIKey
IGGLMKPPGKOHEQ-UHFFFAOYSA-N
Compound name
2-[2-(4-benzylpiperazin-1-yl)ethylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

338.21066 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21794 182.2
[M+Na]+ 361.19988 184.4
[M-H]- 337.20338 187.1
[M+NH4]+ 356.24448 191.1
[M+K]+ 377.17382 178.6
[M+H-H2O]+ 321.20792 170.7
[M+HCOO]- 383.20886 199.7
[M+CH3COO]- 397.22451 216.1
[M+Na-2H]- 359.18533 184.3
[M]+ 338.21011 176.0
[M]- 338.21121 176.0
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