CID 80146

6047-29-6

Structural Information

Molecular Formula
C15H13NO
SMILES
C1CC2=CC=CC=C2NC(=O)C3=CC=CC=C31
InChI
InChI=1S/C15H13NO/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16-15/h1-8H,9-10H2,(H,16,17)
InChIKey
JZDBKFVASLJURR-UHFFFAOYSA-N
Compound name
11,12-dihydro-5H-benzo[c][1]benzazocin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

45
Patents

223.09972 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.106996 154.4
[M+Na]+ 246.088938 159.7
[M-H]- 222.092444 155.8
[M+NH4]+ 241.133543 162.6
[M+K]+ 262.062878 158.1
[M+H-H2O]+ 206.096980 150.1
[M+HCOO]- 268.097921 162.4
[M+CH3COO]- 282.113571 159.0
[M+Na-2H]- 244.074386 155.9
[M]+ 223.09917142 152.9
[M]- 223.10026858 152.9
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.