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 214.3
[M+Na]+ 479.27812 213.2
[M-H]- 455.28162 222.7
[M+NH4]+ 474.32272 218.1
[M+K]+ 495.25206 207.3
[M+H-H2O]+ 439.28616 200.0
[M+HCOO]- 501.28710 229.6
[M+CH3COO]- 515.30275 242.2
[M+Na-2H]- 477.26357 213.4
[M]+ 456.28835 209.5
[M]- 456.28945 209.5
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