CID 382382

Nsc669940

Structural Information

Molecular Formula
C11H12N2S
SMILES
CC1(N2C(=NC3=CC=CC=C32)CS1)C
InChI
InChI=1S/C11H12N2S/c1-11(2)13-9-6-4-3-5-8(9)12-10(13)7-14-11/h3-6H,7H2,1-2H3
InChIKey
HZZJQNVSJLPFCZ-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07211 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07939 142.1
[M+Na]+ 227.06133 155.4
[M-H]- 203.06483 146.6
[M+NH4]+ 222.10593 167.9
[M+K]+ 243.03527 151.7
[M+H-H2O]+ 187.06937 137.0
[M+HCOO]- 249.07031 160.2
[M+CH3COO]- 263.08596 156.9
[M+Na-2H]- 225.04678 146.5
[M]+ 204.07156 147.1
[M]- 204.07266 147.1
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.