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]+ 280.205976 169.9
[M+Na]+ 302.187918 172.0
[M-H]- 278.191424 179.0
[M+NH4]+ 297.232523 185.5
[M+K]+ 318.161858 171.0
[M+H-H2O]+ 262.195960 162.3
[M+HCOO]- 324.196901 189.5
[M+CH3COO]- 338.212551 179.5
[M+Na-2H]- 300.173366 173.8
[M]+ 279.19815142 161.2
[M]- 279.19924858 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.