CID 15956911

Schembl8936588

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CCN1C2=C(N=CC=C2)OC3=C(C1=O)C=CC(=C3)C
InChI
InChI=1S/C15H14N2O2/c1-3-17-12-5-4-8-16-14(12)19-13-9-10(2)6-7-11(13)15(17)18/h4-9H,3H2,1-2H3
InChIKey
YMJXGQPKHLNMQT-UHFFFAOYSA-N
Compound name
5-ethyl-9-methylpyrido[2,3-b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 164.6
[M-H]- 253.09825 160.1
[M+NH4]+ 272.13935 169.8
[M+K]+ 293.06869 165.3
[M+H-H2O]+ 237.10279 147.5
[M+HCOO]- 299.10373 172.4
[M+CH3COO]- 313.11938 167.0
[M+Na-2H]- 275.08020 162.5
[M]+ 254.10498 155.2
[M]- 254.10608 155.2
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

patents stripe