CID 453940

2am-7,8dime-10pr-dboa-11one

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CCCN1C2=C(C=C(C(=C2)C)C)OC3=C(C1=O)C=C(C=C3)N
InChI
InChI=1S/C18H20N2O2/c1-4-7-20-15-8-11(2)12(3)9-17(15)22-16-6-5-13(19)10-14(16)18(20)21/h5-6,8-10H,4,7,19H2,1-3H3
InChIKey
BBWJIFGPEJUGDS-UHFFFAOYSA-N
Compound name
8-amino-2,3-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]+ 297.159746 169.8
[M+Na]+ 319.141688 179.0
[M-H]- 295.145194 176.2
[M+NH4]+ 314.186293 184.5
[M+K]+ 335.115628 179.7
[M+H-H2O]+ 279.149730 163.3
[M+HCOO]- 341.150671 187.9
[M+CH3COO]- 355.166321 181.3
[M+Na-2H]- 317.127136 174.0
[M]+ 296.15192142 169.9
[M]- 296.15301858 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

literature stripe

Patent stripe

No patent data available for this compound.