CID 803620

97740-53-9

Structural Information

Molecular Formula
C16H17NO2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H17NO2/c1-11-6-4-7-12(2)15(11)17-16(18)13-8-5-9-14(10-13)19-3/h4-10H,1-3H3,(H,17,18)
InChIKey
SOBAYBSWKAMJAP-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 158.4
[M+Na]+ 278.11515 166.0
[M-H]- 254.11865 165.6
[M+NH4]+ 273.15975 175.3
[M+K]+ 294.08909 162.8
[M+H-H2O]+ 238.12319 150.8
[M+HCOO]- 300.12413 182.8
[M+CH3COO]- 314.13978 199.8
[M+Na-2H]- 276.10060 162.4
[M]+ 255.12538 160.1
[M]- 255.12648 160.1
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.