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 162.2
[M+Na]+ 290.11514 168.4
[M-H]- 266.11864 168.9
[M+NH4]+ 285.15974 178.1
[M+K]+ 306.08908 164.8
[M+H-H2O]+ 250.12318 154.3
[M+HCOO]- 312.12412 185.4
[M+CH3COO]- 326.13977 201.7
[M+Na-2H]- 288.10059 165.1
[M]+ 267.12537 162.5
[M]- 267.12647 162.5
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