CID 453945

2oh-7,10dime-dboa-11one

Structural Information

Molecular Formula
C15H13NO3
SMILES
CC1=CC2=C(C=C1)N(C(=O)C3=C(O2)C=CC(=C3)O)C
InChI
InChI=1S/C15H13NO3/c1-9-3-5-12-14(7-9)19-13-6-4-10(17)8-11(13)15(18)16(12)2/h3-8,17H,1-2H3
InChIKey
DAQWPIAFUKEARE-UHFFFAOYSA-N
Compound name
8-hydroxy-2,5-dimethylbenzo[b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.08954 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 153.3
[M+Na]+ 278.07876 163.1
[M-H]- 254.08226 159.1
[M+NH4]+ 273.12336 169.1
[M+K]+ 294.05270 164.3
[M+H-H2O]+ 238.08680 147.8
[M+HCOO]- 300.08774 170.8
[M+CH3COO]- 314.10339 165.8
[M+Na-2H]- 276.06421 160.1
[M]+ 255.08899 153.3
[M]- 255.09009 153.3
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.