CID 26245

Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)C(=O)NCC(=O)O
InChI
InChI=1S/C17H26N2O4/c1-2-3-4-5-6-7-10-23-15-9-8-13(18)11-14(15)17(22)19-12-16(20)21/h8-9,11H,2-7,10,12,18H2,1H3,(H,19,22)(H,20,21)
InChIKey
PLNVUMSWZISGRB-UHFFFAOYSA-N
Compound name
2-[(5-amino-2-octoxybenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.18927 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19655 178.8
[M+Na]+ 345.17849 182.2
[M-H]- 321.18199 179.6
[M+NH4]+ 340.22309 191.4
[M+K]+ 361.15243 179.3
[M+H-H2O]+ 305.18653 170.9
[M+HCOO]- 367.18747 199.8
[M+CH3COO]- 381.20312 212.5
[M+Na-2H]- 343.16394 178.0
[M]+ 322.18872 180.9
[M]- 322.18982 180.9
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

No patent data available for this compound.