CID 497701

Akos008604167

Structural Information

Molecular Formula
C16H17NO4
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)OC)OC)O
InChI
InChI=1S/C16H17NO4/c1-10-7-8-12(13(18)9-10)17-16(19)11-5-4-6-14(20-2)15(11)21-3/h4-9,18H,1-3H3,(H,17,19)
InChIKey
GEXKUYSBHYCCJA-UHFFFAOYSA-N
Compound name
N-(2-hydroxy-4-methylphenyl)-2,3-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.11575 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 164.7
[M+Na]+ 310.10497 172.4
[M-H]- 286.10847 170.8
[M+NH4]+ 305.14957 179.7
[M+K]+ 326.07891 169.7
[M+H-H2O]+ 270.11301 156.9
[M+HCOO]- 332.11395 187.9
[M+CH3COO]- 346.12960 203.0
[M+Na-2H]- 308.09042 167.6
[M]+ 287.11520 167.8
[M]- 287.11630 167.8
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.