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

430
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 177.4
[M+Na]+ 359.10022 183.9
[M-H]- 335.10372 185.4
[M+NH4]+ 354.14482 188.6
[M+K]+ 375.07416 179.6
[M+H-H2O]+ 319.10826 167.8
[M+HCOO]- 381.10920 200.4
[M+CH3COO]- 395.12485 213.2
[M+Na-2H]- 357.08567 179.7
[M]+ 336.11045 176.3
[M]- 336.11155 176.3
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