CID 43722

2-(p-aminophenyl)-2-methoxy-2-phenylacetonitrile

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]+ 239.11789 162.2
[M+Na]+ 261.09983 171.2
[M-H]- 237.10333 167.0
[M+NH4]+ 256.14443 177.1
[M+K]+ 277.07377 165.9
[M+H-H2O]+ 221.10787 148.5
[M+HCOO]- 283.10881 181.3
[M+CH3COO]- 297.12446 204.9
[M+Na-2H]- 259.08528 167.5
[M]+ 238.11006 155.8
[M]- 238.11116 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.