CID 374283

Nsc651786

Structural Information

Molecular Formula
C17H12F2N2O2S
SMILES
CC(=O)OC1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4F)F
InChI
InChI=1S/C17H12F2N2O2S/c1-9(22)23-17-15-20-12-7-2-3-8-13(12)21(15)16(24-17)14-10(18)5-4-6-11(14)19/h2-8,16-17H,1H3
InChIKey
SGMSMAISPVGMBJ-UHFFFAOYSA-N
Compound name
[1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.05875 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06603 176.2
[M+Na]+ 369.04797 189.2
[M-H]- 345.05147 181.7
[M+NH4]+ 364.09257 194.0
[M+K]+ 385.02191 183.4
[M+H-H2O]+ 329.05601 168.2
[M+HCOO]- 391.05695 191.0
[M+CH3COO]- 405.07260 188.2
[M+Na-2H]- 367.03342 174.7
[M]+ 346.05820 181.2
[M]- 346.05930 181.2
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.