CID 453928

2nhch3-10me-dboa-11one

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CNC1=CC2=C(C=C1)OC3=CC=CC=C3N(C2=O)C
InChI
InChI=1S/C15H14N2O2/c1-16-10-7-8-13-11(9-10)15(18)17(2)12-5-3-4-6-14(12)19-13/h3-9,16H,1-2H3
InChIKey
HRODOTXSJWNYLL-UHFFFAOYSA-N
Compound name
5-methyl-8-(methylamino)benzo[b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.10553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 154.9
[M+Na]+ 277.09475 163.6
[M-H]- 253.09825 161.6
[M+NH4]+ 272.13935 170.9
[M+K]+ 293.06869 164.9
[M+H-H2O]+ 237.10279 148.6
[M+HCOO]- 299.10373 174.7
[M+CH3COO]- 313.11938 167.3
[M+Na-2H]- 275.08020 163.1
[M]+ 254.10498 154.2
[M]- 254.10608 154.2
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.