CID 15956908

Schembl8936730

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC(=C)CN1C2=C(N=CC=C2)OC3=CC=CC=C3C1=O
InChI
InChI=1S/C16H14N2O2/c1-11(2)10-18-13-7-5-9-17-15(13)20-14-8-4-3-6-12(14)16(18)19/h3-9H,1,10H2,2H3
InChIKey
GZXRLEILRNLJOZ-UHFFFAOYSA-N
Compound name
5-(2-methylprop-2-enyl)pyrido[2,3-b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.10553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 157.6
[M+Na]+ 289.09475 166.0
[M-H]- 265.09825 162.4
[M+NH4]+ 284.13935 171.6
[M+K]+ 305.06869 166.4
[M+H-H2O]+ 249.10279 150.1
[M+HCOO]- 311.10373 174.0
[M+CH3COO]- 325.11938 169.0
[M+Na-2H]- 287.08020 164.4
[M]+ 266.10498 156.6
[M]- 266.10608 156.6
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