CID 4592250

2-imino-3,3-diphenyl-cyclopentanecarbonitrile

Structural Information

Molecular Formula
C18H16N2
SMILES
C1CC(C(=N)C1C#N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2/c19-13-14-11-12-18(17(14)20,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,20H,11-12H2
InChIKey
VLYVWDHSBNJOES-UHFFFAOYSA-N
Compound name
2-imino-3,3-diphenylcyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.13135 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.138626 168.5
[M+Na]+ 283.120568 178.4
[M-H]- 259.124074 176.2
[M+NH4]+ 278.165173 186.0
[M+K]+ 299.094508 169.0
[M+H-H2O]+ 243.128610 154.2
[M+HCOO]- 305.129551 188.2
[M+CH3COO]- 319.145201 178.7
[M+Na-2H]- 281.106016 171.1
[M]+ 260.13080142 159.1
[M]- 260.13189858 159.1
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.