CID 117967

Dtxsid7067297

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

2
Patents

250.11061 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 164.4
[M+Na]+ 273.09983 173.6
[M-H]- 249.10333 169.2
[M+NH4]+ 268.14443 179.0
[M+K]+ 289.07377 167.5
[M+H-H2O]+ 233.10787 150.3
[M+HCOO]- 295.10881 184.0
[M+CH3COO]- 309.12446 207.7
[M+Na-2H]- 271.08528 167.0
[M]+ 250.11006 157.9
[M]- 250.11116 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