CID 50240

Cycloheptylamine, 4,4-diphenyl-n-methyl-, maleate

Structural Information

Molecular Formula
C20H25N
SMILES
CNC1CCCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25N/c1-21-19-13-8-15-20(16-14-19,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19,21H,8,13-16H2,1H3
InChIKey
QGUQWWCGMWNFJO-UHFFFAOYSA-N
Compound name
N-methyl-4,4-diphenylcycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1987 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20598 169.9
[M+Na]+ 302.18792 172.0
[M-H]- 278.19142 179.0
[M+NH4]+ 297.23252 185.5
[M+K]+ 318.16186 171.0
[M+H-H2O]+ 262.19596 162.3
[M+HCOO]- 324.19690 189.5
[M+CH3COO]- 338.21255 179.5
[M+Na-2H]- 300.17337 173.8
[M]+ 279.19815 161.2
[M]- 279.19925 161.2
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.