CID 15956904

Schembl8936669

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CCC(C)N1C2=C(N=CC=C2)OC3=CC=CC=C3C1=O
InChI
InChI=1S/C16H16N2O2/c1-3-11(2)18-13-8-6-10-17-15(13)20-14-9-5-4-7-12(14)16(18)19/h4-11H,3H2,1-2H3
InChIKey
KHDUOOTVMXFWPA-UHFFFAOYSA-N
Compound name
5-butan-2-ylpyrido[2,3-b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.1212 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 158.5
[M+Na]+ 291.11042 166.7
[M-H]- 267.11392 163.3
[M+NH4]+ 286.15502 172.6
[M+K]+ 307.08436 167.6
[M+H-H2O]+ 251.11846 151.0
[M+HCOO]- 313.11940 174.8
[M+CH3COO]- 327.13505 169.9
[M+Na-2H]- 289.09587 165.3
[M]+ 268.12065 158.2
[M]- 268.12175 158.2
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

No patent data available for this compound.