CID 3065214

107314-46-5

Structural Information

Molecular Formula
C29H36N4O
SMILES
CN(C)C1=CC=C(C=C1)NC(=O)CCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H36N4O/c1-31(2)27-17-15-26(16-18-27)30-28(34)14-9-19-32-20-22-33(23-21-32)29(24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-8,10-13,15-18,29H,9,14,19-23H2,1-2H3,(H,30,34)
InChIKey
ZWNGUUDUVDOKPH-UHFFFAOYSA-N
Compound name
4-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylamino)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

456.2889 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.29618 216.9
[M+Na]+ 479.27812 229.5
[M+NH4]+ 474.32272 223.5
[M+K]+ 495.25206 220.4
[M-H]- 455.28162 225.6
[M+Na-2H]- 477.26357 227.2
[M]+ 456.28835 221.1
[M]- 456.28945 221.1
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