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]+ 323.196546 178.8
[M+Na]+ 345.178488 182.2
[M-H]- 321.181994 179.6
[M+NH4]+ 340.223093 191.4
[M+K]+ 361.152428 179.3
[M+H-H2O]+ 305.186530 170.9
[M+HCOO]- 367.187471 199.8
[M+CH3COO]- 381.203121 212.5
[M+Na-2H]- 343.163936 178.0
[M]+ 322.18872142 180.9
[M]- 322.18981858 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.