CID 1285301

618073-56-6

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 183.6
[M+Na]+ 391.06579 198.4
[M-H]- 367.06929 192.7
[M+NH4]+ 386.11039 198.5
[M+K]+ 407.03973 190.2
[M+H-H2O]+ 351.07383 177.2
[M+HCOO]- 413.07477 198.0
[M+CH3COO]- 427.09042 195.6
[M+Na-2H]- 389.05124 181.5
[M]+ 368.07602 190.5
[M]- 368.07712 190.5
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.