CID 58832

Benzoic acid, p-(5-(p-aminophenoxy)pentyloxy)-, hydrochloride

Structural Information

Molecular Formula
C18H21NO4
SMILES
C1=CC(=CC=C1C(=O)O)OCCCCCOC2=CC=C(C=C2)N
InChI
InChI=1S/C18H21NO4/c19-15-6-10-17(11-7-15)23-13-3-1-2-12-22-16-8-4-14(5-9-16)18(20)21/h4-11H,1-3,12-13,19H2,(H,20,21)
InChIKey
NBIKXYJYOUJSER-UHFFFAOYSA-N
Compound name
4-[5-(4-aminophenoxy)pentoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

315.14706 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15434 175.4
[M+Na]+ 338.13628 186.9
[M+NH4]+ 333.18088 181.6
[M+K]+ 354.11022 180.4
[M-H]- 314.13978 178.6
[M+Na-2H]- 336.12173 181.9
[M]+ 315.14651 177.7
[M]- 315.14761 177.7
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