CID 382387

Nsc669945

Structural Information

Molecular Formula
C17H14F2N2S
SMILES
CC1=CC2=C(C=C1C)N3C(SCC3=N2)C4=C(C=CC=C4F)F
InChI
InChI=1S/C17H14F2N2S/c1-9-6-13-14(7-10(9)2)21-15(20-13)8-22-17(21)16-11(18)4-3-5-12(16)19/h3-7,17H,8H2,1-2H3
InChIKey
HCPAEUVAOSHABF-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)-6,7-dimethyl-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.08456 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09184 169.9
[M+Na]+ 339.07378 184.4
[M-H]- 315.07728 175.5
[M+NH4]+ 334.11838 189.5
[M+K]+ 355.04772 177.3
[M+H-H2O]+ 299.08182 162.0
[M+HCOO]- 361.08276 185.1
[M+CH3COO]- 375.09841 182.7
[M+Na-2H]- 337.05923 168.2
[M]+ 316.08401 173.8
[M]- 316.08511 173.8
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.