CID 276457

2h-dibenzo[b,f]azepin-2-one

Structural Information

Molecular Formula
C14H9NO
SMILES
C1=CC=C2C(=C1)C=CC3=CC(=O)C=CC3=N2
InChI
InChI=1S/C14H9NO/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14/h1-9H
InChIKey
CVKDTTCYQAJIAC-UHFFFAOYSA-N
Compound name
benzo[b][1]benzazepin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

207.06842 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07570 140.8
[M+Na]+ 230.05764 151.0
[M-H]- 206.06114 147.1
[M+NH4]+ 225.10224 159.8
[M+K]+ 246.03158 150.2
[M+H-H2O]+ 190.06568 135.6
[M+HCOO]- 252.06662 163.4
[M+CH3COO]- 266.08227 154.6
[M+Na-2H]- 228.04309 151.8
[M]+ 207.06787 140.4
[M]- 207.06897 140.4
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