CID 675653

98175-12-3

Structural Information

Molecular Formula
C17H19NO
SMILES
CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C17H19NO/c1-11-6-5-7-15(10-11)17(19)18-16-13(3)8-12(2)9-14(16)4/h5-10H,1-4H3,(H,18,19)
InChIKey
TWLUUUQHEFIHNU-UHFFFAOYSA-N
Compound name
3-methyl-N-(2,4,6-trimethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 159.1
[M+Na]+ 276.135888 167.4
[M-H]- 252.139394 166.5
[M+NH4]+ 271.180493 176.6
[M+K]+ 292.109828 163.3
[M+H-H2O]+ 236.143930 151.8
[M+HCOO]- 298.144871 182.9
[M+CH3COO]- 312.160521 202.0
[M+Na-2H]- 274.121336 161.9
[M]+ 253.14612142 160.2
[M]- 253.14721858 160.2
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.