CID 3044127

N-methyl-4,4-diphenylcyclohex-2-enylamine maleate

Structural Information

Molecular Formula
C19H21N
SMILES
CNC1CCC(C=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H21N/c1-20-18-12-14-19(15-13-18,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12,14,18,20H,13,15H2,1H3
InChIKey
XCVNMEPAZAQGCH-UHFFFAOYSA-N
Compound name
N-methyl-4,4-diphenylcyclohex-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1674 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 163.1
[M+Na]+ 286.15662 168.0
[M-H]- 262.16012 172.0
[M+NH4]+ 281.20122 180.6
[M+K]+ 302.13056 162.7
[M+H-H2O]+ 246.16466 154.2
[M+HCOO]- 308.16560 185.3
[M+CH3COO]- 322.18125 174.3
[M+Na-2H]- 284.14207 169.5
[M]+ 263.16685 158.3
[M]- 263.16795 158.3
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.