CID 78620

4904-83-0

Structural Information

Molecular Formula
C15H13NO
SMILES
CN1C2=CC=CC=C2CC(=O)C3=CC=CC=C31
InChI
InChI=1S/C15H13NO/c1-16-13-8-4-2-6-11(13)10-15(17)12-7-3-5-9-14(12)16/h2-9H,10H2,1H3
InChIKey
WYGCMGHBEUGWNS-UHFFFAOYSA-N
Compound name
11-methyl-6H-benzo[b][1]benzazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

223.09972 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10700 146.5
[M+Na]+ 246.08894 155.1
[M-H]- 222.09244 152.2
[M+NH4]+ 241.13354 164.9
[M+K]+ 262.06288 154.4
[M+H-H2O]+ 206.09698 141.0
[M+HCOO]- 268.09792 166.0
[M+CH3COO]- 282.11357 159.1
[M+Na-2H]- 244.07439 154.3
[M]+ 223.09917 144.1
[M]- 223.10027 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.