CID 2757214

122744-78-9

Structural Information

Molecular Formula
C14H19NO6
SMILES
CC(C)(C)OC(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC
InChI
InChI=1S/C14H19NO6/c1-14(2,3)21-13(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
ZXNOFBMUVBIGOE-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.12125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12853 165.1
[M+Na]+ 320.11047 171.9
[M-H]- 296.11397 167.9
[M+NH4]+ 315.15507 179.9
[M+K]+ 336.08441 172.0
[M+H-H2O]+ 280.11851 158.9
[M+HCOO]- 342.11945 185.7
[M+CH3COO]- 356.13510 203.5
[M+Na-2H]- 318.09592 167.4
[M]+ 297.12070 170.7
[M]- 297.12180 170.7
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.