CID 50238

4,4-diphenylcycloheptylamine 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]+ 266.19032 166.0
[M+Na]+ 288.17226 168.6
[M-H]- 264.17576 174.9
[M+NH4]+ 283.21686 182.0
[M+K]+ 304.14620 167.5
[M+H-H2O]+ 248.18030 158.7
[M+HCOO]- 310.18124 185.4
[M+CH3COO]- 324.19689 175.8
[M+Na-2H]- 286.15771 169.6
[M]+ 265.18249 156.1
[M]- 265.18359 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.