CID 503323

Chembl5207767

Structural Information

Molecular Formula
C18H21NO5
SMILES
CCOC1=CC(=C(C(=C1)OC)C(=O)NCC2=CC=C(C=C2)OC)O
InChI
InChI=1S/C18H21NO5/c1-4-24-14-9-15(20)17(16(10-14)23-3)18(21)19-11-12-5-7-13(22-2)8-6-12/h5-10,20H,4,11H2,1-3H3,(H,19,21)
InChIKey
HJSRRIKDASQDOU-UHFFFAOYSA-N
Compound name
4-ethoxy-2-hydroxy-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

331.14197 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14925 176.6
[M+Na]+ 354.13119 183.2
[M-H]- 330.13469 182.3
[M+NH4]+ 349.17579 189.6
[M+K]+ 370.10513 180.8
[M+H-H2O]+ 314.13923 168.1
[M+HCOO]- 376.14017 199.2
[M+CH3COO]- 390.15582 211.2
[M+Na-2H]- 352.11664 178.5
[M]+ 331.14142 181.8
[M]- 331.14252 181.8
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

patents stripe