CID 386347

Nsc678130

Structural Information

Molecular Formula
C17H12N2O
SMILES
C1C2=CC3=CC=CC=C3N=C2C4=CC=CC=C4NC1=O
InChI
InChI=1S/C17H12N2O/c20-16-10-12-9-11-5-1-3-7-14(11)19-17(12)13-6-2-4-8-15(13)18-16/h1-9H,10H2,(H,18,20)
InChIKey
NWNLZNHOGRVYJX-UHFFFAOYSA-N
Compound name
5,7-dihydroquinolino[3,2-d][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.09497 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10225 158.0
[M+Na]+ 283.08419 167.2
[M-H]- 259.08769 162.0
[M+NH4]+ 278.12879 173.8
[M+K]+ 299.05813 163.9
[M+H-H2O]+ 243.09223 150.9
[M+HCOO]- 305.09317 173.9
[M+CH3COO]- 319.10882 168.9
[M+Na-2H]- 281.06964 167.1
[M]+ 260.09442 153.8
[M]- 260.09552 153.8
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

patents stripe