CID 206841

Brn 0759263

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
C1CN2C(CC(=O)NC3=CC(=CC1=C32)Cl)C4=CC=CC=C4
InChI
InChI=1S/C17H15ClN2O/c18-13-8-12-6-7-20-15(11-4-2-1-3-5-11)10-16(21)19-14(9-13)17(12)20/h1-5,8-9,15H,6-7,10H2,(H,19,21)
InChIKey
ZLKKDGWBBURRCK-UHFFFAOYSA-N
Compound name
6-chloro-12-phenyl-1,9-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08728 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 165.6
[M+Na]+ 321.07650 178.5
[M+NH4]+ 316.12110 174.1
[M+K]+ 337.05044 173.0
[M-H]- 297.08000 168.7
[M+Na-2H]- 319.06195 170.9
[M]+ 298.08673 168.6
[M]- 298.08783 168.6
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.