CID 3072815

3-bromo-n-(2,6-dichlorophenyl)-6,11-dihydrodibenz(b,e)oxepin-11-carboxamide

Structural Information

Molecular Formula
C21H14BrCl2NO2
SMILES
C1C2=CC=CC=C2C(C3=C(O1)C=C(C=C3)Br)C(=O)NC4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C21H14BrCl2NO2/c22-13-8-9-15-18(10-13)27-11-12-4-1-2-5-14(12)19(15)21(26)25-20-16(23)6-3-7-17(20)24/h1-10,19H,11H2,(H,25,26)
InChIKey
QWTOEXSOIYJUNT-UHFFFAOYSA-N
Compound name
3-bromo-N-(2,6-dichlorophenyl)-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

460.9585 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.96578 193.7
[M+Na]+ 483.94772 200.2
[M+NH4]+ 478.99232 198.9
[M+K]+ 499.92166 197.1
[M-H]- 459.95122 198.6
[M+Na-2H]- 481.93317 197.4
[M]+ 460.95795 195.8
[M]- 460.95905 195.8
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