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 173.3
[M+Na]+ 316.20358 175.1
[M-H]- 292.20708 183.6
[M+NH4]+ 311.24818 189.0
[M+K]+ 332.17752 175.2
[M+H-H2O]+ 276.21162 165.4
[M+HCOO]- 338.21256 193.1
[M+CH3COO]- 352.22821 183.0
[M+Na-2H]- 314.18903 176.1
[M]+ 293.21381 166.1
[M]- 293.21491 166.1
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.