CID 82524

2,5-di-p-toluidinoterephthalic acid

Structural Information

Molecular Formula
C22H20N2O4
SMILES
CC1=CC=C(C=C1)NC2=CC(=C(C=C2C(=O)O)NC3=CC=C(C=C3)C)C(=O)O
InChI
InChI=1S/C22H20N2O4/c1-13-3-7-15(8-4-13)23-19-11-18(22(27)28)20(12-17(19)21(25)26)24-16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)
InChIKey
FVLUGNOOEZYDNV-UHFFFAOYSA-N
Compound name
2,5-bis(4-methylanilino)terephthalic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

332
Patents

376.1423 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14958 189.1
[M+Na]+ 399.13152 194.6
[M-H]- 375.13502 196.6
[M+NH4]+ 394.17612 198.5
[M+K]+ 415.10546 189.8
[M+H-H2O]+ 359.13956 179.6
[M+HCOO]- 421.14050 210.0
[M+CH3COO]- 435.15615 222.5
[M+Na-2H]- 397.11697 189.5
[M]+ 376.14175 188.2
[M]- 376.14285 188.2
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

patents stripe