CID 453935

2am-8me-10et-dboa-11one

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CCN1C2=C(C=CC(=C2)C)OC3=C(C1=O)C=C(C=C3)N
InChI
InChI=1S/C16H16N2O2/c1-3-18-13-8-10(2)4-6-15(13)20-14-7-5-11(17)9-12(14)16(18)19/h4-9H,3,17H2,1-2H3
InChIKey
ZZUMQCQQGMHBPQ-UHFFFAOYSA-N
Compound name
8-amino-5-ethyl-3-methylbenzo[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 160.3
[M+Na]+ 291.11042 169.5
[M-H]- 267.11392 166.7
[M+NH4]+ 286.15502 175.8
[M+K]+ 307.08436 170.5
[M+H-H2O]+ 251.11846 154.0
[M+HCOO]- 313.11940 179.1
[M+CH3COO]- 327.13505 172.3
[M+Na-2H]- 289.09587 166.3
[M]+ 268.12065 159.4
[M]- 268.12175 159.4
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.