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]+ 236.106996 159.7
[M+Na]+ 258.088938 169.5
[M-H]- 234.092444 164.0
[M+NH4]+ 253.133543 174.9
[M+K]+ 274.062878 162.7
[M+H-H2O]+ 218.096980 146.4
[M+HCOO]- 280.097921 177.7
[M+CH3COO]- 294.113571 201.6
[M+Na-2H]- 256.074386 162.7
[M]+ 235.09917142 153.2
[M]- 235.10026858 153.2
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.