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

1306
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 182.5
[M+Na]+ 371.10022 195.5
[M+NH4]+ 366.14482 188.8
[M+K]+ 387.07416 189.2
[M-H]- 347.10372 188.7
[M+Na-2H]- 369.08567 191.7
[M]+ 348.11045 185.9
[M]- 348.11155 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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