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]+ 320.18562 177.4
[M+Na]+ 342.16756 182.5
[M-H]- 318.17106 179.0
[M+NH4]+ 337.21216 191.0
[M+K]+ 358.14150 179.0
[M+H-H2O]+ 302.17560 170.1
[M+HCOO]- 364.17654 197.8
[M+CH3COO]- 378.19219 211.2
[M+Na-2H]- 340.15301 176.1
[M]+ 319.17779 181.3
[M]- 319.17889 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.