CID 3041120

Brn 0699726

Structural Information

Molecular Formula
C18H13ClN2O2
SMILES
C1CC2=C3C(=C1)C(=O)NC=C(N3C(=CC2=O)Cl)C4=CC=CC=C4
InChI
InChI=1S/C18H13ClN2O2/c19-16-9-15(22)12-7-4-8-13-17(12)21(16)14(10-20-18(13)23)11-5-2-1-3-6-11/h1-3,5-6,8-10H,4,7H2,(H,20,23)
InChIKey
GKYMWPVVIDDTRC-UHFFFAOYSA-N
Compound name
2-chloro-13-phenyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8,12-tetraene-4,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.06656 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.07384 174.5
[M+Na]+ 347.05578 185.3
[M-H]- 323.05928 179.8
[M+NH4]+ 342.10038 188.2
[M+K]+ 363.02972 181.9
[M+H-H2O]+ 307.06382 166.4
[M+HCOO]- 369.06476 186.3
[M+CH3COO]- 383.08041 184.9
[M+Na-2H]- 345.04123 180.0
[M]+ 324.06601 173.3
[M]- 324.06711 173.3
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.