CID 2788355

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

Structural Information

Molecular Formula
C16H14BrNO3
SMILES
CC1=CC(=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2)Br
InChI
InChI=1S/C16H14BrNO3/c1-10-6-7-12(11(17)8-10)18-16(19)15-9-20-13-4-2-3-5-14(13)21-15/h2-8,15H,9H2,1H3,(H,18,19)
InChIKey
GXKIORLQMXWUCD-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.01572 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.02300 174.6
[M+Na]+ 370.00494 183.8
[M-H]- 346.00844 185.2
[M+NH4]+ 365.04954 189.4
[M+K]+ 385.97888 174.9
[M+H-H2O]+ 330.01298 172.5
[M+HCOO]- 392.01392 191.5
[M+CH3COO]- 406.02957 187.3
[M+Na-2H]- 367.99039 181.3
[M]+ 347.01517 193.2
[M]- 347.01627 193.2
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.