CID 44147575

104037-85-6

Structural Information

Molecular Formula
C19H19NO4
SMILES
C/C(=C\NC1=CC=CC=C1C(=O)OC)/CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C19H19NO4/c1-13(9-14-7-8-17-18(10-14)24-12-23-17)11-20-16-6-4-3-5-15(16)19(21)22-2/h3-8,10-11,20H,9,12H2,1-2H3/b13-11+
InChIKey
LUXWNKRPTQDZRB-ACCUITESSA-N
Compound name
methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

325.1314 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 178.0
[M+Na]+ 348.12062 183.6
[M-H]- 324.12412 186.5
[M+NH4]+ 343.16522 191.5
[M+K]+ 364.09456 182.3
[M+H-H2O]+ 308.12866 170.5
[M+HCOO]- 370.12960 198.1
[M+CH3COO]- 384.14525 209.6
[M+Na-2H]- 346.10607 180.9
[M]+ 325.13085 181.1
[M]- 325.13195 181.1
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

patents stripe