CID 50236

68716-21-2

Structural Information

Molecular Formula
C21H27N
SMILES
CN(C)C1CCCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27N/c1-22(2)20-14-9-16-21(17-15-20,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20H,9,14-17H2,1-2H3
InChIKey
SIJYLDOKTBNDMY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4,4-diphenylcycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21436 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.22164 174.9
[M+Na]+ 316.20358 186.6
[M+NH4]+ 311.24818 185.3
[M+K]+ 332.17752 177.0
[M-H]- 292.20708 182.6
[M+Na-2H]- 314.18903 186.2
[M]+ 293.21381 179.1
[M]- 293.21491 179.1
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

No patent data available for this compound.