CID 206932

Brn 0757450

Structural Information

Molecular Formula
C17H13ClN2O
SMILES
C1CN2C(=CC(=O)NC3=CC(=CC1=C32)Cl)C4=CC=CC=C4
InChI
InChI=1S/C17H13ClN2O/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/h1-5,8-10H,6-7H2,(H,19,21)
InChIKey
SZUMMFSMTNPTKQ-UHFFFAOYSA-N
Compound name
6-chloro-12-phenyl-1,9-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,11-tetraen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.07166 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07894 164.6
[M+Na]+ 319.06088 178.4
[M+NH4]+ 314.10548 173.2
[M+K]+ 335.03482 172.6
[M-H]- 295.06438 167.9
[M+Na-2H]- 317.04633 170.7
[M]+ 296.07111 167.9
[M]- 296.07221 167.9
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.