CID 1285301

Mls000088131

Structural Information

Molecular Formula
C18H16N4OS2
SMILES
CN1C2=CC=CC=C2N=C1C3=C(N(C(=S)S3)C4=CC=C(C=C4)OC)N
InChI
InChI=1S/C18H16N4OS2/c1-21-14-6-4-3-5-13(14)20-17(21)15-16(19)22(18(24)25-15)11-7-9-12(23-2)10-8-11/h3-10H,19H2,1-2H3
InChIKey
OCSRSXROLQRGLW-UHFFFAOYSA-N
Compound name
4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

368.07657 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.08385 182.9
[M+Na]+ 391.06579 198.2
[M+NH4]+ 386.11039 191.4
[M+K]+ 407.03973 190.0
[M-H]- 367.06929 188.9
[M+Na-2H]- 389.05124 190.5
[M]+ 368.07602 187.9
[M]- 368.07712 187.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.