CID 89575

2-methylnaphtho[2,1-d]thiazole

Structural Information

Molecular Formula
C12H9NS
SMILES
CC1=NC2=C(S1)C3=CC=CC=C3C=C2
InChI
InChI=1S/C12H9NS/c1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8/h2-7H,1H3
InChIKey
OCRIUIGNOKGMOR-UHFFFAOYSA-N
Compound name
2-methylbenzo[g][1,3]benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

199.04558 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05286 138.5
[M+Na]+ 222.03480 154.9
[M+NH4]+ 217.07940 150.2
[M+K]+ 238.00874 145.6
[M-H]- 198.03830 143.0
[M+Na-2H]- 220.02025 146.8
[M]+ 199.04503 142.9
[M]- 199.04613 142.9
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

patents stripe