CID 3678520

2-methyl-n-(4-propionylphenyl)benzamide

Structural Information

Molecular Formula
C17H17NO2
SMILES
CCC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C
InChI
InChI=1S/C17H17NO2/c1-3-16(19)13-8-10-14(11-9-13)18-17(20)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,18,20)
InChIKey
HCILDZHGAKQADS-UHFFFAOYSA-N
Compound name
2-methyl-N-(4-propanoylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

267.12592 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 163.2
[M+Na]+ 290.11514 176.5
[M+NH4]+ 285.15974 170.9
[M+K]+ 306.08908 169.3
[M-H]- 266.11864 167.7
[M+Na-2H]- 288.10059 171.5
[M]+ 267.12537 166.3
[M]- 267.12647 166.3
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

patents stripe