CID 145901897

5-ethynyl-2-methyl-n-phenylbenzamide

Structural Information

Molecular Formula
C16H13NO
SMILES
CC1=C(C=C(C=C1)C#C)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H13NO/c1-3-13-10-9-12(2)15(11-13)16(18)17-14-7-5-4-6-8-14/h1,4-11H,2H3,(H,17,18)
InChIKey
SOQHAOJITDTDSE-UHFFFAOYSA-N
Compound name
5-ethynyl-2-methyl-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09972 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10700 156.8
[M+Na]+ 258.08894 170.6
[M+NH4]+ 253.13354 161.8
[M+K]+ 274.06288 159.6
[M-H]- 234.09244 153.5
[M+Na-2H]- 256.07439 162.6
[M]+ 235.09917 157.1
[M]- 235.10027 157.1
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.