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

86
Patents

199.04558 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.052856 138.2
[M+Na]+ 222.034798 151.1
[M-H]- 198.038304 143.9
[M+NH4]+ 217.079403 161.6
[M+K]+ 238.008738 146.2
[M+H-H2O]+ 182.042840 132.8
[M+HCOO]- 244.043781 157.8
[M+CH3COO]- 258.059431 153.3
[M+Na-2H]- 220.020246 145.0
[M]+ 199.04503142 143.1
[M]- 199.04612858 143.1
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

patents stripe