CID 51983

73663-78-2

Structural Information

Molecular Formula
C17H16N2O
SMILES
CN(CC(=O)C(C#N)C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H16N2O/c1-19(15-10-6-3-7-11-15)13-17(20)16(12-18)14-8-4-2-5-9-14/h2-11,16H,13H2,1H3
InChIKey
DZBBLJWSVLNSSO-UHFFFAOYSA-N
Compound name
4-(N-methylanilino)-3-oxo-2-phenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12625 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 168.7
[M+Na]+ 287.11547 175.5
[M-H]- 263.11897 174.2
[M+NH4]+ 282.16007 182.7
[M+K]+ 303.08941 170.8
[M+H-H2O]+ 247.12351 153.7
[M+HCOO]- 309.12445 187.9
[M+CH3COO]- 323.14010 213.4
[M+Na-2H]- 285.10092 171.1
[M]+ 264.12570 163.2
[M]- 264.12680 163.2
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.