CID 469798

217322-04-8

Structural Information

Molecular Formula
C16H12F2N2S
SMILES
C[C@@H]1C2=NC3=CC=CC=C3N2[C@H](S1)C4=C(C=CC=C4F)F
InChI
InChI=1S/C16H12F2N2S/c1-9-15-19-12-7-2-3-8-13(12)20(15)16(21-9)14-10(17)5-4-6-11(14)18/h2-9,16H,1H3/t9-,16-/m1/s1
InChIKey
BMTBMJVTNBYPOB-JDNHERCYSA-N
Compound name
(1R,3R)-1-(2,6-difluorophenyl)-3-methyl-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.06894 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07622 164.9
[M+Na]+ 325.05816 179.1
[M-H]- 301.06166 170.4
[M+NH4]+ 320.10276 184.8
[M+K]+ 341.03210 172.3
[M+H-H2O]+ 285.06620 157.0
[M+HCOO]- 347.06714 180.6
[M+CH3COO]- 361.08279 177.9
[M+Na-2H]- 323.04361 164.4
[M]+ 302.06839 168.1
[M]- 302.06949 168.1
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.