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]+ 261.13863 168.5
[M+Na]+ 283.12057 178.4
[M-H]- 259.12407 176.2
[M+NH4]+ 278.16517 186.0
[M+K]+ 299.09451 169.0
[M+H-H2O]+ 243.12861 154.2
[M+HCOO]- 305.12955 188.2
[M+CH3COO]- 319.14520 178.7
[M+Na-2H]- 281.10602 171.1
[M]+ 260.13080 159.1
[M]- 260.13190 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.