CID 3059098

Brn 5590089

Structural Information

Molecular Formula
C17H14N2OS
SMILES
C1C2COC(S2)(C3=NC4=CC=CC=C4N31)C5=CC=CC=C5
InChI
InChI=1S/C17H14N2OS/c1-2-6-12(7-3-1)17-16-18-14-8-4-5-9-15(14)19(16)10-13(21-17)11-20-17/h1-9,13H,10-11H2
InChIKey
AMYOXDWJQOVPDQ-UHFFFAOYSA-N
Compound name
1-phenyl-14-oxa-15-thia-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

294.08267 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08995 162.8
[M+Na]+ 317.07189 178.1
[M+NH4]+ 312.11649 175.6
[M+K]+ 333.04583 169.1
[M-H]- 293.07539 168.6
[M+Na-2H]- 315.05734 169.8
[M]+ 294.08212 167.6
[M]- 294.08322 167.6
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.