CID 5275970

Benzoic acid inhibitor 10

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CCC(CC)OC1=CC(=CC(=C1NC(=O)C)N)C(=O)O
InChI
InChI=1S/C14H20N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h6-7,10H,4-5,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKey
FWHGOPBCXHOTDC-UHFFFAOYSA-N
Compound name
4-acetamido-3-amino-5-pentan-3-yloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

280.1423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 165.7
[M+Na]+ 303.13152 171.0
[M-H]- 279.13502 167.6
[M+NH4]+ 298.17612 180.3
[M+K]+ 319.10546 169.5
[M+H-H2O]+ 263.13956 158.8
[M+HCOO]- 325.14050 186.7
[M+CH3COO]- 339.15615 205.8
[M+Na-2H]- 301.11697 164.5
[M]+ 280.14175 166.5
[M]- 280.14285 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.