CID 3051697

Brn 0797628

Structural Information

Molecular Formula
C11H8N2S3
SMILES
CSC1=NC(=CS1)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C11H8N2S3/c1-14-11-13-8(6-15-11)10-12-7-4-2-3-5-9(7)16-10/h2-6H,1H3
InChIKey
XTMTXWFJMUTXLM-UHFFFAOYSA-N
Compound name
2-(2-methylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.98495 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.99223 151.8
[M+Na]+ 286.97417 166.8
[M-H]- 262.97767 158.4
[M+NH4]+ 282.01877 172.5
[M+K]+ 302.94811 160.4
[M+H-H2O]+ 246.98221 147.8
[M+HCOO]- 308.98315 162.3
[M+CH3COO]- 322.99880 165.5
[M+Na-2H]- 284.95962 152.1
[M]+ 263.98440 157.5
[M]- 263.98550 157.5
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.