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 175.6
[M+Na]+ 369.01682 188.9
[M-H]- 345.02032 182.2
[M+NH4]+ 364.06142 194.0
[M+K]+ 384.99076 183.6
[M+H-H2O]+ 329.02486 168.1
[M+HCOO]- 391.02580 182.6
[M+CH3COO]- 405.04145 187.3
[M+Na-2H]- 367.00227 180.0
[M]+ 346.02705 182.6
[M]- 346.02815 182.6
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.