CID 82351

2,5-dianilinoterephthalic acid

Structural Information

Molecular Formula
C20H16N2O4
SMILES
C1=CC=C(C=C1)NC2=CC(=C(C=C2C(=O)O)NC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C20H16N2O4/c23-19(24)15-12-18(22-14-9-5-2-6-10-14)16(20(25)26)11-17(15)21-13-7-3-1-4-8-13/h1-12,21-22H,(H,23,24)(H,25,26)
InChIKey
ZJQZWNLKRBUEKX-UHFFFAOYSA-N
Compound name
2,5-dianilinoterephthalic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1035
Patents

348.111 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11828 182.5
[M+Na]+ 371.10022 195.0
[M+NH4]+ 366.14482 188.4
[M+K]+ 387.07416 188.9
[M-H]- 347.10372 188.0
[M+Na-2H]- 369.08567 191.4
[M]+ 348.11045 185.6
[M]- 348.11155 185.6
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