CID 453929

2am-10me-dboa-11one

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CN1C2=CC=CC=C2OC3=C(C1=O)C=CC(=C3)N
InChI
InChI=1S/C14H12N2O2/c1-16-11-4-2-3-5-12(11)18-13-8-9(15)6-7-10(13)14(16)17/h2-8H,15H2,1H3
InChIKey
CZZGORKQTZTMQY-UHFFFAOYSA-N
Compound name
9-amino-5-methylbenzo[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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 150.8
[M+Na]+ 263.07909 159.9
[M-H]- 239.08259 157.2
[M+NH4]+ 258.12369 167.0
[M+K]+ 279.05303 161.2
[M+H-H2O]+ 223.08713 144.6
[M+HCOO]- 285.08807 170.3
[M+CH3COO]- 299.10372 163.3
[M+Na-2H]- 261.06454 158.5
[M]+ 240.08932 148.9
[M]- 240.09042 148.9
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.