CID 197948

Sq 10996

Structural Information

Molecular Formula
C14H11ClN2O2
SMILES
C1C2=CC=CC=C2N(C3=C(O1)C=CC(=C3)Cl)C(=O)N
InChI
InChI=1S/C14H11ClN2O2/c15-10-5-6-13-12(7-10)17(14(16)18)11-4-2-1-3-9(11)8-19-13/h1-7H,8H2,(H2,16,18)
InChIKey
QAAMRPKLZCOAAY-UHFFFAOYSA-N
Compound name
2-chloro-6H-benzo[c][1,5]benzoxazepine-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

274.0509 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05818 158.2
[M+Na]+ 297.04012 171.1
[M+NH4]+ 292.08472 166.3
[M+K]+ 313.01406 165.5
[M-H]- 273.04362 162.3
[M+Na-2H]- 295.02557 163.6
[M]+ 274.05035 161.6
[M]- 274.05145 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

literature stripe

Patent stripe

No patent data available for this compound.