CID 75892

2-methylnaphtho[1,2-d]thiazole

Structural Information

Molecular Formula
C12H9NS
SMILES
CC1=NC2=C(S1)C=CC3=CC=CC=C32
InChI
InChI=1S/C12H9NS/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2-7H,1H3
InChIKey
OUXMJRMYZCEVKO-UHFFFAOYSA-N
Compound name
2-methylbenzo[e][1,3]benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

302
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

literature stripe

Patent stripe

patents stripe