CID 3050165

Compound 776-285

Structural Information

Molecular Formula
C25H28N4O
SMILES
C1CN(CCN1CCNC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H28N4O/c30-25(27-21-9-3-1-4-10-21)23-13-7-8-14-24(23)26-15-16-28-17-19-29(20-18-28)22-11-5-2-6-12-22/h1-14,26H,15-20H2,(H,27,30)
InChIKey
MPXDJKFPLJPBNJ-UHFFFAOYSA-N
Compound name
N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

400.22632 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.233596 196.8
[M+Na]+ 423.215538 197.8
[M-H]- 399.219044 204.5
[M+NH4]+ 418.260143 202.5
[M+K]+ 439.189478 190.7
[M+H-H2O]+ 383.223580 183.3
[M+HCOO]- 445.224521 214.1
[M+CH3COO]- 459.240171 203.1
[M+Na-2H]- 421.200986 199.8
[M]+ 400.22577142 190.2
[M]- 400.22686858 190.2
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