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]+ 205.079386 142.1
[M+Na]+ 227.061328 155.4
[M-H]- 203.064834 146.6
[M+NH4]+ 222.105933 167.9
[M+K]+ 243.035268 151.7
[M+H-H2O]+ 187.069370 137.0
[M+HCOO]- 249.070311 160.2
[M+CH3COO]- 263.085961 156.9
[M+Na-2H]- 225.046776 146.5
[M]+ 204.07156142 147.1
[M]- 204.07265858 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.