CID 3050158

Compound 763-423

Structural Information

Molecular Formula
C20H26N4O
SMILES
CNC(=O)C1=CC=CC=C1NCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H26N4O/c1-21-20(25)18-9-5-6-10-19(18)22-11-12-23-13-15-24(16-14-23)17-7-3-2-4-8-17/h2-10,22H,11-16H2,1H3,(H,21,25)
InChIKey
CINTUVGQDQWWIP-UHFFFAOYSA-N
Compound name
N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

338.21066 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.217936 182.3
[M+Na]+ 361.199878 184.5
[M-H]- 337.203384 187.6
[M+NH4]+ 356.244483 191.4
[M+K]+ 377.173818 179.0
[M+H-H2O]+ 321.207920 170.6
[M+HCOO]- 383.208861 200.3
[M+CH3COO]- 397.224511 215.9
[M+Na-2H]- 359.185326 185.3
[M]+ 338.21011142 176.8
[M]- 338.21120858 176.8
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