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 156.6
[M+Na]+ 297.04012 166.2
[M-H]- 273.04362 162.3
[M+NH4]+ 292.08472 172.3
[M+K]+ 313.01406 166.4
[M+H-H2O]+ 257.04816 150.5
[M+HCOO]- 319.04910 171.1
[M+CH3COO]- 333.06475 168.5
[M+Na-2H]- 295.02557 163.7
[M]+ 274.05035 155.8
[M]- 274.05145 155.8
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

patents stripe