CID 15956903

Schembl8936579

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C=CCN1C2=C(N=C(C=C2)Cl)OC3=CC=CC=C3C1=O
InChI
InChI=1S/C15H11ClN2O2/c1-2-9-18-11-7-8-13(16)17-14(11)20-12-6-4-3-5-10(12)15(18)19/h2-8H,1,9H2
InChIKey
PTHPRJVYVOPNIM-UHFFFAOYSA-N
Compound name
2-chloro-5-prop-2-enylpyrido[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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 160.1
[M+Na]+ 309.04012 171.5
[M-H]- 285.04362 164.9
[M+NH4]+ 304.08472 174.7
[M+K]+ 325.01406 170.3
[M+H-H2O]+ 269.04816 152.5
[M+HCOO]- 331.04910 173.5
[M+CH3COO]- 345.06475 172.0
[M+Na-2H]- 307.02557 167.3
[M]+ 286.05035 161.6
[M]- 286.05145 161.6
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