CID 50238

Cycloheptylamine, 4,4-diphenyl-, maleate

Structural Information

Molecular Formula
C19H23N
SMILES
C1CC(CCC(C1)(C2=CC=CC=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C19H23N/c20-18-12-7-14-19(15-13-18,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15,20H2
InChIKey
ZWIXPAHVVJCIAC-UHFFFAOYSA-N
Compound name
4,4-diphenylcycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.18304 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.190316 166.0
[M+Na]+ 288.172258 168.6
[M-H]- 264.175764 174.9
[M+NH4]+ 283.216863 182.0
[M+K]+ 304.146198 167.5
[M+H-H2O]+ 248.180300 158.7
[M+HCOO]- 310.181241 185.4
[M+CH3COO]- 324.196891 175.8
[M+Na-2H]- 286.157706 169.6
[M]+ 265.18249142 156.1
[M]- 265.18358858 156.1
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.