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 138.2
[M+Na]+ 222.03480 151.1
[M-H]- 198.03830 143.9
[M+NH4]+ 217.07940 161.6
[M+K]+ 238.00874 146.2
[M+H-H2O]+ 182.04284 132.8
[M+HCOO]- 244.04378 157.8
[M+CH3COO]- 258.05943 153.3
[M+Na-2H]- 220.02025 145.0
[M]+ 199.04503 143.1
[M]- 199.04613 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