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 159.7
[M+Na]+ 258.08894 169.5
[M-H]- 234.09244 164.0
[M+NH4]+ 253.13354 174.9
[M+K]+ 274.06288 162.7
[M+H-H2O]+ 218.09698 146.4
[M+HCOO]- 280.09792 177.7
[M+CH3COO]- 294.11357 201.6
[M+Na-2H]- 256.07439 162.7
[M]+ 235.09917 153.2
[M]- 235.10027 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.