CID 117967

Benzeneacetonitrile, .alpha.-[(4-amino-2-methoxyphenyl)methylene]-

Structural Information

Molecular Formula
C16H14N2O
SMILES
COC1=C(C=CC(=C1)N)C=C(C#N)C2=CC=CC=C2
InChI
InChI=1S/C16H14N2O/c1-19-16-10-15(18)8-7-13(16)9-14(11-17)12-5-3-2-4-6-12/h2-10H,18H2,1H3
InChIKey
BSVPQIAORBMDMB-UHFFFAOYSA-N
Compound name
3-(4-amino-2-methoxyphenyl)-2-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.11061 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 164.4
[M+Na]+ 273.099828 173.6
[M-H]- 249.103334 169.2
[M+NH4]+ 268.144433 179.0
[M+K]+ 289.073768 167.5
[M+H-H2O]+ 233.107870 150.3
[M+HCOO]- 295.108811 184.0
[M+CH3COO]- 309.124461 207.7
[M+Na-2H]- 271.085276 167.0
[M]+ 250.11006142 157.9
[M]- 250.11115858 157.9
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