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 169.7
[M+Na]+ 321.07650 178.9
[M-H]- 297.08000 174.6
[M+NH4]+ 316.12110 185.9
[M+K]+ 337.05044 174.6
[M+H-H2O]+ 281.08454 161.9
[M+HCOO]- 343.08548 180.9
[M+CH3COO]- 357.10113 180.0
[M+Na-2H]- 319.06195 172.4
[M]+ 298.08673 166.4
[M]- 298.08783 166.4
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.