CID 453941

2am-8,9dime-10pr-dboa-11one

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CCCN1C2=C(C=CC(=C2C)C)OC3=C(C1=O)C=C(C=C3)N
InChI
InChI=1S/C18H20N2O2/c1-4-9-20-17-12(3)11(2)5-7-16(17)22-15-8-6-13(19)10-14(15)18(20)21/h5-8,10H,4,9,19H2,1-3H3
InChIKey
MZLWHKPSWKYJAX-UHFFFAOYSA-N
Compound name
8-amino-3,4-dimethyl-5-propylbenzo[b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.15247 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 169.8
[M+Na]+ 319.14169 179.0
[M-H]- 295.14519 176.2
[M+NH4]+ 314.18629 184.5
[M+K]+ 335.11563 179.7
[M+H-H2O]+ 279.14973 163.3
[M+HCOO]- 341.15067 187.9
[M+CH3COO]- 355.16632 181.3
[M+Na-2H]- 317.12714 174.0
[M]+ 296.15192 169.9
[M]- 296.15302 169.9
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.