CID 41978

4,4-diphenyl-2,5-cyclohexadien-1-amine hydrochloride

Structural Information

Molecular Formula
C18H17N
SMILES
C1=CC=C(C=C1)C2(C=CC(C=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C18H17N/c19-17-11-13-18(14-12-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,17H,19H2
InChIKey
JBDFTOHIRRLCFH-UHFFFAOYSA-N
Compound name
4,4-diphenylcyclohexa-2,5-dien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.1361 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14338 158.3
[M+Na]+ 270.12532 164.8
[M-H]- 246.12882 167.4
[M+NH4]+ 265.16992 176.3
[M+K]+ 286.09926 159.2
[M+H-H2O]+ 230.13336 149.8
[M+HCOO]- 292.13430 181.7
[M+CH3COO]- 306.14995 170.3
[M+Na-2H]- 268.11077 165.2
[M]+ 247.13555 153.7
[M]- 247.13665 153.7
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.