CID 3059071

Brn 5590135

Structural Information

Molecular Formula
C15H12N2O2S
SMILES
C1C2COC(O2)(C3=NC4=CC=CC=C4N31)C5=CC=CS5
InChI
InChI=1S/C15H12N2O2S/c1-2-5-12-11(4-1)16-14-15(13-6-3-7-20-13)18-9-10(19-15)8-17(12)14/h1-7,10H,8-9H2
InChIKey
XFQDQISQBJOTLM-UHFFFAOYSA-N
Compound name
1-thiophen-2-yl-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

284.06195 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06923 157.8
[M+Na]+ 307.05117 171.5
[M+NH4]+ 302.09577 169.9
[M+K]+ 323.02511 166.3
[M-H]- 283.05467 163.6
[M+Na-2H]- 305.03662 162.5
[M]+ 284.06140 162.2
[M]- 284.06250 162.2
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.