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

12
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

literature stripe

Patent stripe

patents stripe