CID 453937

2am-9me-dboa-11one

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=C2C(=CC=C1)OC3=C(C=C(C=C3)N)C(=O)N2
InChI
InChI=1S/C14H12N2O2/c1-8-3-2-4-12-13(8)16-14(17)10-7-9(15)5-6-11(10)18-12/h2-7H,15H2,1H3,(H,16,17)
InChIKey
IOXBBSNWPQDGCM-UHFFFAOYSA-N
Compound name
8-amino-4-methyl-5H-benzo[b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 151.3
[M+Na]+ 263.07909 160.1
[M-H]- 239.08259 156.5
[M+NH4]+ 258.12369 167.0
[M+K]+ 279.05303 160.7
[M+H-H2O]+ 223.08713 145.5
[M+HCOO]- 285.08807 169.4
[M+CH3COO]- 299.10372 163.3
[M+Na-2H]- 261.06454 158.7
[M]+ 240.08932 147.8
[M]- 240.09042 147.8
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.