CID 323908

[4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

964
Patents

348.111 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.118276 181.5
[M+Na]+ 371.100218 187.3
[M-H]- 347.103724 190.5
[M+NH4]+ 366.144823 192.6
[M+K]+ 387.074158 183.5
[M+H-H2O]+ 331.108260 171.6
[M+HCOO]- 393.109201 205.0
[M+CH3COO]- 407.124851 216.0
[M+Na-2H]- 369.085666 183.2
[M]+ 348.11045142 180.6
[M]- 348.11154858 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

patents stripe