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]+ 282.133576 162.4
[M+Na]+ 304.115518 169.3
[M-H]- 280.119024 165.2
[M+NH4]+ 299.160123 177.8
[M+K]+ 320.089458 168.6
[M+H-H2O]+ 264.123560 156.4
[M+HCOO]- 326.124501 182.7
[M+CH3COO]- 340.140151 202.0
[M+Na-2H]- 302.100966 164.4
[M]+ 281.12575142 166.5
[M]- 281.12684858 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.