CID 11175081

3,5-bis(4-aminophenoxy)benzoic acid

Structural Information

Molecular Formula
C19H16N2O4
SMILES
C1=CC(=CC=C1N)OC2=CC(=CC(=C2)C(=O)O)OC3=CC=C(C=C3)N
InChI
InChI=1S/C19H16N2O4/c20-13-1-5-15(6-2-13)24-17-9-12(19(22)23)10-18(11-17)25-16-7-3-14(21)4-8-16/h1-11H,20-21H2,(H,22,23)
InChIKey
KPKOSOUTWDOOIW-UHFFFAOYSA-N
Compound name
3,5-bis(4-aminophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

429
Patents

336.111 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11828 179.5
[M+Na]+ 359.10022 192.9
[M+NH4]+ 354.14482 186.1
[M+K]+ 375.07416 186.6
[M-H]- 335.10372 185.8
[M+Na-2H]- 357.08567 188.5
[M]+ 336.11045 183.1
[M]- 336.11155 183.1
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

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