CID 207059

P-isophthalanisidide, 4-hydroxy-

Structural Information

Molecular Formula
C22H20N2O5
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C22H20N2O5/c1-28-17-8-4-15(5-9-17)23-21(26)14-3-12-20(25)19(13-14)22(27)24-16-6-10-18(29-2)11-7-16/h3-13,25H,1-2H3,(H,23,26)(H,24,27)
InChIKey
XFVGWDPTXMJACL-UHFFFAOYSA-N
Compound name
4-hydroxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1372 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14448 192.0
[M+Na]+ 415.12642 196.9
[M-H]- 391.12992 200.5
[M+NH4]+ 410.17102 201.2
[M+K]+ 431.10036 193.6
[M+H-H2O]+ 375.13446 181.7
[M+HCOO]- 437.13540 214.6
[M+CH3COO]- 451.15105 224.2
[M+Na-2H]- 413.11187 193.7
[M]+ 392.13665 193.6
[M]- 392.13775 193.6
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.