CID 3059080

Brn 5624906

Structural Information

Molecular Formula
C17H12Cl2N2O2
SMILES
C1C2COC(O2)(C3=NC4=CC=CC=C4N31)C5=CC(=C(C=C5)Cl)Cl
InChI
InChI=1S/C17H12Cl2N2O2/c18-12-6-5-10(7-13(12)19)17-16-20-14-3-1-2-4-15(14)21(16)8-11(23-17)9-22-17/h1-7,11H,8-9H2
InChIKey
VNWDUKDUBQDBEG-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0276 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03488 172.6
[M+Na]+ 369.01682 190.3
[M+NH4]+ 364.06142 184.6
[M+K]+ 384.99076 182.8
[M-H]- 345.02032 179.1
[M+Na-2H]- 367.00227 178.4
[M]+ 346.02705 178.1
[M]- 346.02815 178.1
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.