CID 28737773

400786-17-6

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC(C)NC(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC
InChI
InChI=1S/C13H18N2O5/c1-7(2)14-13(18)15-9-6-11(20-4)10(19-3)5-8(9)12(16)17/h5-7H,1-4H3,(H,16,17)(H2,14,15,18)
InChIKey
BLIJVBSFGOHYLA-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-2-(propan-2-ylcarbamoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12158 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12886 163.2
[M+Na]+ 305.11080 168.8
[M-H]- 281.11430 165.8
[M+NH4]+ 300.15540 177.9
[M+K]+ 321.08474 168.5
[M+H-H2O]+ 265.11884 156.2
[M+HCOO]- 327.11978 185.3
[M+CH3COO]- 341.13543 204.9
[M+Na-2H]- 303.09625 163.7
[M]+ 282.12103 165.9
[M]- 282.12213 165.9
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.