CID 15956907

Schembl8936630

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C=C(CN1C2=C(N=CC=C2)OC3=CC=CC=C3C1=O)Cl
InChI
InChI=1S/C15H11ClN2O2/c1-10(16)9-18-12-6-4-8-17-14(12)20-13-7-3-2-5-11(13)15(18)19/h2-8H,1,9H2
InChIKey
AEJVTDHFROAWHC-UHFFFAOYSA-N
Compound name
5-(2-chloroprop-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

286.0509 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 158.8
[M+Na]+ 309.04012 169.1
[M-H]- 285.04362 163.4
[M+NH4]+ 304.08472 173.0
[M+K]+ 325.01406 168.3
[M+H-H2O]+ 269.04816 151.3
[M+HCOO]- 331.04910 171.3
[M+CH3COO]- 345.06475 170.4
[M+Na-2H]- 307.02557 165.8
[M]+ 286.05035 159.5
[M]- 286.05145 159.5
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