CID 58519

Hippuric acid, 4-(allyloxy)-3,5-dipropyl-

Structural Information

Molecular Formula
C18H25NO4
SMILES
CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)NCC(=O)O
InChI
InChI=1S/C18H25NO4/c1-4-7-13-10-15(18(22)19-12-16(20)21)11-14(8-5-2)17(13)23-9-6-3/h6,10-11H,3-5,7-9,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKey
BOKHEPFBRABENZ-UHFFFAOYSA-N
Compound name
2-[(4-prop-2-enoxy-3,5-dipropylbenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.17834 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.185616 177.4
[M+Na]+ 342.167558 182.5
[M-H]- 318.171064 179.0
[M+NH4]+ 337.212163 191.0
[M+K]+ 358.141498 179.0
[M+H-H2O]+ 302.175600 170.1
[M+HCOO]- 364.176541 197.8
[M+CH3COO]- 378.192191 211.2
[M+Na-2H]- 340.153006 176.1
[M]+ 319.17779142 181.3
[M]- 319.17888858 181.3
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.