CID 3048963

64179-38-0

Structural Information

Molecular Formula
C16H15NO3
SMILES
C1C2=CC=CC=C2C(O1)NC3=CC4=C(C=C3)OCOC4
InChI
InChI=1S/C16H15NO3/c1-2-4-14-11(3-1)9-19-16(14)17-13-5-6-15-12(7-13)8-18-10-20-15/h1-7,16-17H,8-10H2
InChIKey
WREMJSBKOBCPCI-UHFFFAOYSA-N
Compound name
N-(1,3-dihydro-2-benzofuran-1-yl)-4H-1,3-benzodioxin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1052 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 156.8
[M+Na]+ 292.09442 163.5
[M-H]- 268.09792 166.7
[M+NH4]+ 287.13902 172.2
[M+K]+ 308.06836 163.0
[M+H-H2O]+ 252.10246 150.0
[M+HCOO]- 314.10340 175.3
[M+CH3COO]- 328.11905 169.1
[M+Na-2H]- 290.07987 165.0
[M]+ 269.10465 156.8
[M]- 269.10575 156.8
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.