CID 366135

1h,3h-thiazolo(3,4-a)benzimidazole, 1-(2-nitrophenyl)-

Structural Information

Molecular Formula
C15H11N3O2S
SMILES
C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C15H11N3O2S/c19-18(20)12-7-3-1-5-10(12)15-17-13-8-4-2-6-11(13)16-14(17)9-21-15/h1-8,15H,9H2
InChIKey
PSYDBXIUPWICOV-UHFFFAOYSA-N
Compound name
1-(2-nitrophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

297.0572 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06448 164.2
[M+Na]+ 320.04642 174.0
[M-H]- 296.04992 171.7
[M+NH4]+ 315.09102 182.2
[M+K]+ 336.02036 165.0
[M+H-H2O]+ 280.05446 161.6
[M+HCOO]- 342.05540 183.0
[M+CH3COO]- 356.07105 194.7
[M+Na-2H]- 318.03187 169.3
[M]+ 297.05665 165.9
[M]- 297.05775 165.9
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.