CID 43722

61706-40-9

Structural Information

Molecular Formula
C15H14N2O
SMILES
COC(C#N)(C1=CC=CC=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H14N2O/c1-18-15(11-16,12-5-3-2-4-6-12)13-7-9-14(17)10-8-13/h2-10H,17H2,1H3
InChIKey
WPDIOVWEXFQLHW-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-2-methoxy-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.117886 162.2
[M+Na]+ 261.099828 171.2
[M-H]- 237.103334 167.0
[M+NH4]+ 256.144433 177.1
[M+K]+ 277.073768 165.9
[M+H-H2O]+ 221.107870 148.5
[M+HCOO]- 283.108811 181.3
[M+CH3COO]- 297.124461 204.9
[M+Na-2H]- 259.085276 167.5
[M]+ 238.11006142 155.8
[M]- 238.11115858 155.8
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.