CID 3624062

116855-73-3

Structural Information

Molecular Formula
C8H6N2OS2
SMILES
C1=CC2=C(C=C1NC=O)SC(=S)N2
InChI
InChI=1S/C8H6N2OS2/c11-4-9-5-1-2-6-7(3-5)13-8(12)10-6/h1-4H,(H,9,11)(H,10,12)
InChIKey
UWNCYYSAPQELAU-UHFFFAOYSA-N
Compound name
N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.99216 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.999436 137.5
[M+Na]+ 232.981378 149.7
[M-H]- 208.984884 140.5
[M+NH4]+ 228.025983 158.3
[M+K]+ 248.955318 143.2
[M+H-H2O]+ 192.989420 132.7
[M+HCOO]- 254.990361 152.5
[M+CH3COO]- 269.006011 151.1
[M+Na-2H]- 230.966826 141.4
[M]+ 209.99161142 140.4
[M]- 209.99270858 140.4
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