CID 5388635

Nsc637347

Structural Information

Molecular Formula
C17H13NO
SMILES
CC1=CC(=CC=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H13NO/c1-13-6-5-7-14(10-13)11-16(12-18)17(19)15-8-3-2-4-9-15/h2-11H,1H3/b16-11+
InChIKey
MOYRFPCCRHDEJW-LFIBNONCSA-N
Compound name
(E)-2-benzoyl-3-(3-methylphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09972 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10700 163.8
[M+Na]+ 270.08894 172.8
[M-H]- 246.09244 168.8
[M+NH4]+ 265.13354 178.7
[M+K]+ 286.06288 166.2
[M+H-H2O]+ 230.09698 149.8
[M+HCOO]- 292.09792 182.0
[M+CH3COO]- 306.11357 205.6
[M+Na-2H]- 268.07439 166.1
[M]+ 247.09917 157.7
[M]- 247.10027 157.7
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.