CID 374970

Nsc653685

Structural Information

Molecular Formula
C17H16N2OS
SMILES
CC1(N2C(=NC3=CC=CC=C32)CS1)C4=CC=CC=C4OC
InChI
InChI=1S/C17H16N2OS/c1-17(12-7-3-6-10-15(12)20-2)19-14-9-5-4-8-13(14)18-16(19)11-21-17/h3-10H,11H2,1-2H3
InChIKey
ZDBBSXMWUWJPBR-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-1-methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09833 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10561 167.4
[M+Na]+ 319.08755 180.2
[M-H]- 295.09105 175.1
[M+NH4]+ 314.13215 189.1
[M+K]+ 335.06149 174.8
[M+H-H2O]+ 279.09559 160.7
[M+HCOO]- 341.09653 185.2
[M+CH3COO]- 355.11218 180.7
[M+Na-2H]- 317.07300 170.3
[M]+ 296.09778 173.7
[M]- 296.09888 173.7
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.