CID 15956912

Schembl8936631

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CCC(=O)N1C2=C(N=CC=C2)OC3=C(C1=O)C=C(C=C3)C
InChI
InChI=1S/C16H14N2O3/c1-3-14(19)18-12-5-4-8-17-15(12)21-13-7-6-10(2)9-11(13)16(18)20/h4-9H,3H2,1-2H3
InChIKey
BQELGEARCUTQNZ-UHFFFAOYSA-N
Compound name
8-methyl-5-propanoylpyrido[2,3-b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.10043 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 161.0
[M+Na]+ 305.08965 170.1
[M-H]- 281.09315 166.2
[M+NH4]+ 300.13425 174.7
[M+K]+ 321.06359 171.4
[M+H-H2O]+ 265.09769 153.5
[M+HCOO]- 327.09863 177.6
[M+CH3COO]- 341.11428 172.6
[M+Na-2H]- 303.07510 167.2
[M]+ 282.09988 161.7
[M]- 282.10098 161.7
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