CID 606375

5-acetyl-5h-dibenz[b,f]azepine

Structural Information

Molecular Formula
C16H13NO
SMILES
CC(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C16H13NO/c1-12(18)17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-11H,1H3
InChIKey
OSQPHLCMJMVXLB-UHFFFAOYSA-N
Compound name
1-benzo[b][1]benzazepin-11-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

64
Patents

235.09972 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.106996 149.9
[M+Na]+ 258.088938 158.1
[M-H]- 234.092444 155.6
[M+NH4]+ 253.133543 167.7
[M+K]+ 274.062878 157.5
[M+H-H2O]+ 218.096980 144.4
[M+HCOO]- 280.097921 169.6
[M+CH3COO]- 294.113571 162.3
[M+Na-2H]- 256.074386 157.9
[M]+ 235.09917142 148.2
[M]- 235.10026858 148.2
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