CID 3048951

3-((2-ethyl-2-propyl-1,3-benzodioxol-5-yl)amino)-1(3h)-isobenzofuranone

Structural Information

Molecular Formula
C20H21NO4
SMILES
CCCC1(OC2=C(O1)C=C(C=C2)NC3C4=CC=CC=C4C(=O)O3)CC
InChI
InChI=1S/C20H21NO4/c1-3-11-20(4-2)24-16-10-9-13(12-17(16)25-20)21-18-14-7-5-6-8-15(14)19(22)23-18/h5-10,12,18,21H,3-4,11H2,1-2H3
InChIKey
AZXMSURKHIFPKI-UHFFFAOYSA-N
Compound name
3-[(2-ethyl-2-propyl-1,3-benzodioxol-5-yl)amino]-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14706 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 178.1
[M+Na]+ 362.13628 190.5
[M+NH4]+ 357.18088 187.6
[M+K]+ 378.11022 185.9
[M-H]- 338.13978 186.2
[M+Na-2H]- 360.12173 182.3
[M]+ 339.14651 182.4
[M]- 339.14761 182.4
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.