CID 2771335

38985-69-2

Structural Information

Molecular Formula
C15H10N2S2
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=C=S
InChI
InChI=1S/C15H10N2S2/c1-10-2-7-13-14(8-10)19-15(17-13)11-3-5-12(6-4-11)16-9-18/h2-8H,1H3
InChIKey
LDZBSJGNFLWZNJ-UHFFFAOYSA-N
Compound name
2-(4-isothiocyanatophenyl)-6-methyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.02853 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.035806 160.2
[M+Na]+ 305.017748 173.2
[M-H]- 281.021254 169.0
[M+NH4]+ 300.062353 179.7
[M+K]+ 320.991688 165.8
[M+H-H2O]+ 265.025790 153.7
[M+HCOO]- 327.026731 177.5
[M+CH3COO]- 341.042381 173.8
[M+Na-2H]- 303.003196 163.1
[M]+ 282.02798142 165.6
[M]- 282.02907858 165.6
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.