CID 218196

40319-53-7

Structural Information

Molecular Formula
C18H19N
SMILES
C1CC(C=CC1N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H19N/c19-17-11-13-18(14-12-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11,13,17H,12,14,19H2
InChIKey
JMKYZMHKJLOAIF-UHFFFAOYSA-N
Compound name
4,4-diphenylcyclohex-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

249.15175 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15903 159.4
[M+Na]+ 272.14097 164.8
[M-H]- 248.14447 168.1
[M+NH4]+ 267.18557 177.3
[M+K]+ 288.11491 159.4
[M+H-H2O]+ 232.14901 150.8
[M+HCOO]- 294.14995 181.4
[M+CH3COO]- 308.16560 170.8
[M+Na-2H]- 270.12642 165.3
[M]+ 249.15120 153.4
[M]- 249.15230 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe