CID 471625

N-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-benzamide

Structural Information

Molecular Formula
C25H27N3O
SMILES
CN1CCN(CC1)CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H27N3O/c1-27-15-17-28(18-16-27)19-23-9-5-6-10-24(23)26-25(29)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,26,29)
InChIKey
JYIKXVMXNBIDHL-UHFFFAOYSA-N
Compound name
N-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.21542 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.22270 196.3
[M+Na]+ 408.20464 199.2
[M-H]- 384.20814 204.5
[M+NH4]+ 403.24924 203.3
[M+K]+ 424.17858 192.0
[M+H-H2O]+ 368.21268 183.2
[M+HCOO]- 430.21362 212.5
[M+CH3COO]- 444.22927 203.4
[M+Na-2H]- 406.19009 197.6
[M]+ 385.21487 190.6
[M]- 385.21597 190.6
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.