CID 717924

2-(2,2-dimethylpropanamido)-4,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C14H19NO5
SMILES
CC(C)(C)C(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC
InChI
InChI=1S/C14H19NO5/c1-14(2,3)13(18)15-9-7-11(20-5)10(19-4)6-8(9)12(16)17/h6-7H,1-5H3,(H,15,18)(H,16,17)
InChIKey
YJAYHMAKUYQNPU-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1263 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13358 162.4
[M+Na]+ 304.11552 169.3
[M-H]- 280.11902 165.2
[M+NH4]+ 299.16012 177.8
[M+K]+ 320.08946 168.6
[M+H-H2O]+ 264.12356 156.4
[M+HCOO]- 326.12450 182.7
[M+CH3COO]- 340.14015 202.0
[M+Na-2H]- 302.10097 164.4
[M]+ 281.12575 166.5
[M]- 281.12685 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.