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

25
Patents

284.1161 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.123376 166.5
[M+Na]+ 307.105318 172.8
[M-H]- 283.108824 174.8
[M+NH4]+ 302.149923 179.6
[M+K]+ 323.079258 171.4
[M+H-H2O]+ 267.113360 158.1
[M+HCOO]- 329.114301 186.3
[M+CH3COO]- 343.129951 177.7
[M+Na-2H]- 305.090766 172.4
[M]+ 284.11555142 165.2
[M]- 284.11664858 165.2
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

patents stripe