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]+ 393.144476 192.0
[M+Na]+ 415.126418 196.9
[M-H]- 391.129924 200.5
[M+NH4]+ 410.171023 201.2
[M+K]+ 431.100358 193.6
[M+H-H2O]+ 375.134460 181.7
[M+HCOO]- 437.135401 214.6
[M+CH3COO]- 451.151051 224.2
[M+Na-2H]- 413.111866 193.7
[M]+ 392.13665142 193.6
[M]- 392.13774858 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.