CID 3084837

1,4-benzenedicarboxylic acid, 2,5-bis((4-methoxyphenyl)amino)-

Structural Information

Molecular Formula
C22H20N2O6
SMILES
COC1=CC=C(C=C1)NC2=CC(=C(C=C2C(=O)O)NC3=CC=C(C=C3)OC)C(=O)O
InChI
InChI=1S/C22H20N2O6/c1-29-15-7-3-13(4-8-15)23-19-11-18(22(27)28)20(12-17(19)21(25)26)24-14-5-9-16(30-2)10-6-14/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)
InChIKey
UHNQJYAKDVEVGU-UHFFFAOYSA-N
Compound name
2,5-bis(4-methoxyanilino)terephthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

408.13214 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13942 197.1
[M+Na]+ 431.12136 208.8
[M+NH4]+ 426.16596 201.4
[M+K]+ 447.09530 203.8
[M-H]- 407.12486 201.7
[M+Na-2H]- 429.10681 204.1
[M]+ 408.13159 199.7
[M]- 408.13269 199.7
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

patents stripe