CID 497705

Akos008604413

Structural Information

Molecular Formula
C16H17NO2
SMILES
CC1=CC(=C(C=C1)C(=O)NC2=C(C=C(C=C2)C)O)C
InChI
InChI=1S/C16H17NO2/c1-10-4-6-13(12(3)8-10)16(19)17-14-7-5-11(2)9-15(14)18/h4-9,18H,1-3H3,(H,17,19)
InChIKey
FTHDMQXTAPENGV-UHFFFAOYSA-N
Compound name
N-(2-hydroxy-4-methylphenyl)-2,4-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.12593 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.133206 158.4
[M+Na]+ 278.115148 166.6
[M-H]- 254.118654 164.7
[M+NH4]+ 273.159753 175.0
[M+K]+ 294.089088 162.6
[M+H-H2O]+ 238.123190 151.4
[M+HCOO]- 300.124131 181.3
[M+CH3COO]- 314.139781 198.6
[M+Na-2H]- 276.100596 161.3
[M]+ 255.12538142 158.8
[M]- 255.12647858 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.