CID 27146

15234-97-6

Structural Information

Molecular Formula
C40H46N4O2
SMILES
CN1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NCC4(CCN(CC4)C)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C40H46N4O2/c1-43-25-21-39(22-26-43,35-9-5-3-6-10-35)29-41-37(45)33-17-13-31(14-18-33)32-15-19-34(20-16-32)38(46)42-30-40(23-27-44(2)28-24-40)36-11-7-4-8-12-36/h3-20H,21-30H2,1-2H3,(H,41,45)(H,42,46)
InChIKey
IHHURAIVCRJWJF-UHFFFAOYSA-N
Compound name
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-4-[4-[(1-methyl-4-phenylpiperidin-4-yl)methylcarbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.36206 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.36934 251.9
[M+Na]+ 637.35128 249.2
[M-H]- 613.35478 263.0
[M+NH4]+ 632.39588 251.1
[M+K]+ 653.32522 241.8
[M+H-H2O]+ 597.35932 233.7
[M+HCOO]- 659.36026 260.8
[M+CH3COO]- 673.37591 252.6
[M+Na-2H]- 635.33673 248.5
[M]+ 614.36151 241.6
[M]- 614.36261 241.6
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.