CID 453950

2oh-7,9,10trime-dboa-11one

Structural Information

Molecular Formula
C16H15NO3
SMILES
CC1=CC(=C2C(=C1)OC3=C(C=C(C=C3)O)C(=O)N2C)C
InChI
InChI=1S/C16H15NO3/c1-9-6-10(2)15-14(7-9)20-13-5-4-11(18)8-12(13)16(19)17(15)3/h4-8,18H,1-3H3
InChIKey
ITLJTFLFDKESMH-UHFFFAOYSA-N
Compound name
8-hydroxy-2,4,5-trimethylbenzo[b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 157.9
[M+Na]+ 292.09442 168.1
[M-H]- 268.09792 164.0
[M+NH4]+ 287.13902 173.5
[M+K]+ 308.06836 169.3
[M+H-H2O]+ 252.10246 152.5
[M+HCOO]- 314.10340 175.1
[M+CH3COO]- 328.11905 170.3
[M+Na-2H]- 290.07987 163.5
[M]+ 269.10465 158.6
[M]- 269.10575 158.6
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.