CID 453954

2cl-5pr-pboa-6one

Structural Information

Molecular Formula
C15H13ClN2O2
SMILES
CCCN1C2=C(N=C(C=C2)Cl)OC3=CC=CC=C3C1=O
InChI
InChI=1S/C15H13ClN2O2/c1-2-9-18-11-7-8-13(16)17-14(11)20-12-6-4-3-5-10(12)15(18)19/h3-8H,2,9H2,1H3
InChIKey
IKARPARVOYZNHF-UHFFFAOYSA-N
Compound name
2-chloro-5-propylpyrido[2,3-b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.06656 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07384 160.9
[M+Na]+ 311.05578 171.9
[M-H]- 287.05928 165.6
[M+NH4]+ 306.10038 175.4
[M+K]+ 327.02972 171.3
[M+H-H2O]+ 271.06382 153.2
[M+HCOO]- 333.06476 174.1
[M+CH3COO]- 347.08041 172.7
[M+Na-2H]- 309.04123 168.1
[M]+ 288.06601 163.0
[M]- 288.06711 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.