CID 395888

Nsc700983

Structural Information

Molecular Formula
C16H12F2N2OS
SMILES
COC1=CC2=C(C=C1)N=C3N2C(SC3)C4=C(C=CC=C4F)F
InChI
InChI=1S/C16H12F2N2OS/c1-21-9-5-6-12-13(7-9)20-14(19-12)8-22-16(20)15-10(17)3-2-4-11(15)18/h2-7,16H,8H2,1H3
InChIKey
BEBGSZSUIZBEOW-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.06384 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07112 168.3
[M+Na]+ 341.05306 182.2
[M-H]- 317.05656 173.8
[M+NH4]+ 336.09766 187.5
[M+K]+ 357.02700 176.0
[M+H-H2O]+ 301.06110 160.3
[M+HCOO]- 363.06204 184.2
[M+CH3COO]- 377.07769 181.1
[M+Na-2H]- 339.03851 168.0
[M]+ 318.06329 172.9
[M]- 318.06439 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.