CID 453943

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

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CC1=CC(=C2C(=C1)OC3=C(C=C(C=C3)N)C(=O)N2C)C
InChI
InChI=1S/C16H16N2O2/c1-9-6-10(2)15-14(7-9)20-13-5-4-11(17)8-12(13)16(19)18(15)3/h4-8H,17H2,1-3H3
InChIKey
KBVKZTXBAARIBF-UHFFFAOYSA-N
Compound name
8-amino-2,4,5-trimethylbenzo[b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.1212 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 160.7
[M+Na]+ 291.11042 170.7
[M-H]- 267.11392 167.5
[M+NH4]+ 286.15502 176.5
[M+K]+ 307.08436 171.9
[M+H-H2O]+ 251.11846 154.5
[M+HCOO]- 313.11940 179.4
[M+CH3COO]- 327.13505 173.0
[M+Na-2H]- 289.09587 166.0
[M]+ 268.12065 160.2
[M]- 268.12175 160.2
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.