CID 53401222

Bis(4-aminophenyl) terephthalate

Structural Information

Molecular Formula
C20H16N2O4
SMILES
C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N)C(=O)OC3=CC=C(C=C3)N
InChI
InChI=1S/C20H16N2O4/c21-15-5-9-17(10-6-15)25-19(23)13-1-2-14(4-3-13)20(24)26-18-11-7-16(22)8-12-18/h1-12H,21-22H2
InChIKey
CFTXGNJIXHFHTH-UHFFFAOYSA-N
Compound name
bis(4-aminophenyl) benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1307
Patents

348.111 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11828 181.5
[M+Na]+ 371.10022 187.3
[M-H]- 347.10372 190.5
[M+NH4]+ 366.14482 192.6
[M+K]+ 387.07416 183.5
[M+H-H2O]+ 331.10826 171.6
[M+HCOO]- 393.10920 205.0
[M+CH3COO]- 407.12485 216.0
[M+Na-2H]- 369.08567 183.2
[M]+ 348.11045 180.6
[M]- 348.11155 180.6
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.