CID 213234

P-isophthalophenetidide, 4-hydroxy-

Structural Information

Molecular Formula
C24H24N2O5
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=C(C=C3)OCC
InChI
InChI=1S/C24H24N2O5/c1-3-30-19-10-6-17(7-11-19)25-23(28)16-5-14-22(27)21(15-16)24(29)26-18-8-12-20(13-9-18)31-4-2/h5-15,27H,3-4H2,1-2H3,(H,25,28)(H,26,29)
InChIKey
BXTGBULAJKITBA-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(4-ethoxyphenyl)-4-hydroxybenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.16852 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.175796 200.8
[M+Na]+ 443.157738 204.8
[M-H]- 419.161244 208.9
[M+NH4]+ 438.202343 208.8
[M+K]+ 459.131678 201.1
[M+H-H2O]+ 403.165780 190.1
[M+HCOO]- 465.166721 222.7
[M+CH3COO]- 479.182371 230.0
[M+Na-2H]- 441.143186 201.5
[M]+ 420.16797142 203.1
[M]- 420.16906858 203.1
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.