CID 6612290

142280-58-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

600
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

literature stripe

Patent stripe

patents stripe