CID 3051700

Brn 0805273

Structural Information

Molecular Formula
C13H12N2S3
SMILES
CC(C)SC1=NC(=CS1)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C13H12N2S3/c1-8(2)17-13-15-10(7-16-13)12-14-9-5-3-4-6-11(9)18-12/h3-8H,1-2H3
InChIKey
GOPGKZGKFWSAHN-UHFFFAOYSA-N
Compound name
2-(2-propan-2-ylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.01627 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02355 160.3
[M+Na]+ 315.00549 173.9
[M-H]- 291.00899 166.6
[M+NH4]+ 310.05009 179.8
[M+K]+ 330.97943 167.6
[M+H-H2O]+ 275.01353 156.0
[M+HCOO]- 337.01447 169.1
[M+CH3COO]- 351.03012 173.0
[M+Na-2H]- 312.99094 159.1
[M]+ 292.01572 166.2
[M]- 292.01682 166.2
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.