CID 113016

Naphtho[1,2-d]thiazole-2(1h)-thione, 1-ethyl-4,5-dihydro-

Structural Information

Molecular Formula
C13H13NS2
SMILES
CCN1C2=C(CCC3=CC=CC=C32)SC1=S
InChI
InChI=1S/C13H13NS2/c1-2-14-12-10-6-4-3-5-9(10)7-8-11(12)16-13(14)15/h3-6H,2,7-8H2,1H3
InChIKey
LLLDOZVMMUSWMD-UHFFFAOYSA-N
Compound name
1-ethyl-4,5-dihydrobenzo[e][1,3]benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.04893 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05621 149.4
[M+Na]+ 270.03815 161.0
[M-H]- 246.04165 153.9
[M+NH4]+ 265.08275 171.1
[M+K]+ 286.01209 154.9
[M+H-H2O]+ 230.04619 144.7
[M+HCOO]- 292.04713 160.4
[M+CH3COO]- 306.06278 162.3
[M+Na-2H]- 268.02360 151.4
[M]+ 247.04838 152.7
[M]- 247.04948 152.7
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.