CID 10468522

500372-25-8

Structural Information

Molecular Formula
C19H15NO
SMILES
C1=CC=C(C=C1)COC(C#N)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C19H15NO/c20-13-19(21-14-15-6-2-1-3-7-15)18-11-10-16-8-4-5-9-17(16)12-18/h1-12,19H,14H2
InChIKey
SLMXQIWKVZNVSR-UHFFFAOYSA-N
Compound name
2-naphthalen-2-yl-2-phenylmethoxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

273.11536 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12264 169.7
[M+Na]+ 296.10458 179.2
[M-H]- 272.10808 174.9
[M+NH4]+ 291.14918 184.4
[M+K]+ 312.07852 170.8
[M+H-H2O]+ 256.11262 155.1
[M+HCOO]- 318.11356 187.6
[M+CH3COO]- 332.12921 179.4
[M+Na-2H]- 294.09003 174.8
[M]+ 273.11481 164.7
[M]- 273.11591 164.7
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

patents stripe