CID 3065219

107314-69-2

Structural Information

Molecular Formula
C27H32N4O
SMILES
CNC1=CC(=CC(=C1)C(C2=CC=CC=C2)C3=CC=CC=C3)N4CCN(CC4)CCC(=O)N
InChI
InChI=1S/C27H32N4O/c1-29-24-18-23(27(21-8-4-2-5-9-21)22-10-6-3-7-11-22)19-25(20-24)31-16-14-30(15-17-31)13-12-26(28)32/h2-11,18-20,27,29H,12-17H2,1H3,(H2,28,32)
InChIKey
QCXOBHIADPNUMX-UHFFFAOYSA-N
Compound name
3-[4-[3-benzhydryl-5-(methylamino)phenyl]piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.2576 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.26488 209.7
[M+Na]+ 451.24682 222.7
[M+NH4]+ 446.29142 216.3
[M+K]+ 467.22076 213.8
[M-H]- 427.25032 218.1
[M+Na-2H]- 449.23227 219.5
[M]+ 428.25705 213.8
[M]- 428.25815 213.8
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

No patent data available for this compound.