CID 2788364

N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Structural Information

Molecular Formula
C17H17NO3
SMILES
CC1=C(C(=CC=C1)NC(=O)C2COC3=CC=CC=C3O2)C
InChI
InChI=1S/C17H17NO3/c1-11-6-5-7-13(12(11)2)18-17(19)16-10-20-14-8-3-4-9-15(14)21-16/h3-9,16H,10H2,1-2H3,(H,18,19)
InChIKey
SSYMJFMMDKBGKH-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 166.1
[M+Na]+ 306.11007 172.9
[M-H]- 282.11357 174.9
[M+NH4]+ 301.15467 179.9
[M+K]+ 322.08401 171.6
[M+H-H2O]+ 266.11811 157.9
[M+HCOO]- 328.11905 185.3
[M+CH3COO]- 342.13470 203.8
[M+Na-2H]- 304.09552 172.1
[M]+ 283.12030 166.7
[M]- 283.12140 166.7
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.