CID 387531

Nsc681441

Structural Information

Molecular Formula
C15H11F2N3S
SMILES
C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)N
InChI
InChI=1S/C15H11F2N3S/c16-9-2-1-3-10(17)14(9)15-20-12-6-8(18)4-5-11(12)19-13(20)7-21-15/h1-6,15H,7,18H2
InChIKey
KVJQFWZBQQKNRC-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.06418 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07146 163.0
[M+Na]+ 326.05340 176.7
[M-H]- 302.05690 168.1
[M+NH4]+ 321.09800 182.3
[M+K]+ 342.02734 169.6
[M+H-H2O]+ 286.06144 155.1
[M+HCOO]- 348.06238 179.4
[M+CH3COO]- 362.07803 175.7
[M+Na-2H]- 324.03885 163.2
[M]+ 303.06363 164.5
[M]- 303.06473 164.5
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.