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]+ 283.03581 159.8
[M+Na]+ 305.01775 175.4
[M+NH4]+ 300.06235 170.3
[M+K]+ 320.99169 163.8
[M-H]- 281.02125 166.2
[M+Na-2H]- 303.00320 168.9
[M]+ 282.02798 165.0
[M]- 282.02908 165.0
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.