CID 171540

4,4-diphenyl-2-cyclopentenylamine

Structural Information

Molecular Formula
C17H17N
SMILES
C1C(C=CC1(C2=CC=CC=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C17H17N/c18-16-11-12-17(13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,16H,13,18H2
InChIKey
VNNFYMJTSULIAJ-UHFFFAOYSA-N
Compound name
4,4-diphenylcyclopent-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

235.1361 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.143376 154.4
[M+Na]+ 258.125318 161.3
[M-H]- 234.128824 163.8
[M+NH4]+ 253.169923 174.9
[M+K]+ 274.099258 155.9
[M+H-H2O]+ 218.133360 146.7
[M+HCOO]- 280.134301 179.1
[M+CH3COO]- 294.149951 167.1
[M+Na-2H]- 256.110766 159.3
[M]+ 235.13555142 150.4
[M]- 235.13664858 150.4
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.