CID 503325

Chembl5198654

Structural Information

Molecular Formula
C18H22N2O4
SMILES
CCOC1=CC(=C(C(=C1)OC)C(=O)NCC2=CC=C(C=C2)NC)O
InChI
InChI=1S/C18H22N2O4/c1-4-24-14-9-15(21)17(16(10-14)23-3)18(22)20-11-12-5-7-13(19-2)8-6-12/h5-10,19,21H,4,11H2,1-3H3,(H,20,22)
InChIKey
HUTODGKKXZEUCM-UHFFFAOYSA-N
Compound name
4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

330.15796 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 177.6
[M+Na]+ 353.14718 183.5
[M-H]- 329.15068 183.3
[M+NH4]+ 348.19178 190.4
[M+K]+ 369.12112 180.5
[M+H-H2O]+ 313.15522 169.0
[M+HCOO]- 375.15616 201.1
[M+CH3COO]- 389.17181 214.3
[M+Na-2H]- 351.13263 179.9
[M]+ 330.15741 180.7
[M]- 330.15851 180.7
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.