CID 453932

9,10-dime-dboa-11one

Structural Information

Molecular Formula
C15H13NO2
SMILES
CC1=C2C(=CC=C1)OC3=CC=CC=C3C(=O)N2C
InChI
InChI=1S/C15H13NO2/c1-10-6-5-9-13-14(10)16(2)15(17)11-7-3-4-8-12(11)18-13/h3-9H,1-2H3
InChIKey
KHEPCPQACWFUGX-UHFFFAOYSA-N
Compound name
4,5-dimethylbenzo[b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.09464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 149.3
[M+Na]+ 262.08386 158.8
[M-H]- 238.08736 156.0
[M+NH4]+ 257.12846 166.2
[M+K]+ 278.05780 159.8
[M+H-H2O]+ 222.09190 143.6
[M+HCOO]- 284.09284 168.1
[M+CH3COO]- 298.10849 162.3
[M+Na-2H]- 260.06931 157.2
[M]+ 239.09409 149.2
[M]- 239.09519 149.2
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.