CID 83420

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

Structural Information

Molecular Formula
C13H11NS2
SMILES
CCN1C2=C(C=CC3=CC=CC=C32)SC1=S
InChI
InChI=1S/C13H11NS2/c1-2-14-12-10-6-4-3-5-9(10)7-8-11(12)16-13(14)15/h3-8H,2H2,1H3
InChIKey
OJDGRIWANFTMKT-UHFFFAOYSA-N
Compound name
1-ethylbenzo[e][1,3]benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0333 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04058 148.0
[M+Na]+ 268.02252 161.8
[M-H]- 244.02602 153.4
[M+NH4]+ 263.06712 170.0
[M+K]+ 283.99646 155.2
[M+H-H2O]+ 228.03056 143.3
[M+HCOO]- 290.03150 161.8
[M+CH3COO]- 304.04715 162.0
[M+Na-2H]- 266.00797 151.7
[M]+ 245.03275 154.0
[M]- 245.03385 154.0
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.