CID 373391

Nsc38538

Structural Information

Molecular Formula
C36H40N2O
SMILES
C1CC(C(=O)C(C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)CN(CC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C36H40N2O/c39-36-34(28-37(24-30-14-5-1-6-15-30)25-31-16-7-2-8-17-31)22-13-23-35(36)29-38(26-32-18-9-3-10-19-32)27-33-20-11-4-12-21-33/h1-12,14-21,34-35H,13,22-29H2
InChIKey
ANRHXYMHAOGIGA-UHFFFAOYSA-N
Compound name
2,6-bis[(dibenzylamino)methyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.3141 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.32138 231.5
[M+Na]+ 539.30332 228.9
[M-H]- 515.30682 245.1
[M+NH4]+ 534.34792 235.1
[M+K]+ 555.27726 222.1
[M+H-H2O]+ 499.31136 216.1
[M+HCOO]- 561.31230 250.0
[M+CH3COO]- 575.32795 235.9
[M+Na-2H]- 537.28877 229.7
[M]+ 516.31355 227.0
[M]- 516.31465 227.0
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.