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

literature stripe

Patent stripe

patents stripe