CID 395907

Nsc701002

Structural Information

Molecular Formula
C22H14F2N2OS
SMILES
C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C22H14F2N2OS/c23-15-7-4-8-16(24)20(15)22-26-18-11-14(21(27)13-5-2-1-3-6-13)9-10-17(18)25-19(26)12-28-22/h1-11,22H,12H2
InChIKey
XJUKFRBRABNBTR-UHFFFAOYSA-N
Compound name
[1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-7-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.0795 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.08678 190.2
[M+Na]+ 415.06872 202.6
[M-H]- 391.07222 198.5
[M+NH4]+ 410.11332 205.5
[M+K]+ 431.04266 194.6
[M+H-H2O]+ 375.07676 180.8
[M+HCOO]- 437.07770 204.5
[M+CH3COO]- 451.09335 201.1
[M+Na-2H]- 413.05417 187.9
[M]+ 392.07895 193.0
[M]- 392.08005 193.0
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.