CID 28937984

1039933-69-1

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)N
InChI
InChI=1S/C16H16N2O3/c1-10-2-4-12(9-13(10)17)18-16(19)11-3-5-14-15(8-11)21-7-6-20-14/h2-5,8-9H,6-7,17H2,1H3,(H,18,19)
InChIKey
MFQAWAUKKKUROS-UHFFFAOYSA-N
Compound name
N-(3-amino-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

284.1161 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 166.3
[M+Na]+ 307.10532 179.3
[M+NH4]+ 302.14992 174.3
[M+K]+ 323.07926 173.3
[M-H]- 283.10882 174.4
[M+Na-2H]- 305.09077 172.4
[M]+ 284.11555 170.4
[M]- 284.11665 170.4
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

patents stripe