CID 382381

Nsc669939

Structural Information

Molecular Formula
C10H10N2S
SMILES
CC1N2C(=NC3=CC=CC=C32)CS1
InChI
InChI=1S/C10H10N2S/c1-7-12-9-5-3-2-4-8(9)11-10(12)6-13-7/h2-5,7H,6H2,1H3
InChIKey
LWMCALUODNGSKW-UHFFFAOYSA-N
Compound name
1-methyl-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.05647 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06375 138.0
[M+Na]+ 213.04569 150.9
[M-H]- 189.04919 142.5
[M+NH4]+ 208.09029 162.3
[M+K]+ 229.01963 147.3
[M+H-H2O]+ 173.05373 132.8
[M+HCOO]- 235.05467 156.5
[M+CH3COO]- 249.07032 152.9
[M+Na-2H]- 211.03114 141.7
[M]+ 190.05592 142.4
[M]- 190.05702 142.4
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.