CID 1545970

4-amino-5-(1h-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1,3-thiazole-2(3h)-thione

Structural Information

Molecular Formula
C17H14N4OS2
SMILES
COC1=CC=C(C=C1)N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3)N
InChI
InChI=1S/C17H14N4OS2/c1-22-11-8-6-10(7-9-11)21-15(18)14(24-17(21)23)16-19-12-4-2-3-5-13(12)20-16/h2-9H,18H2,1H3,(H,19,20)
InChIKey
MQTYOXPHUFJTME-UHFFFAOYSA-N
Compound name
4-amino-5-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0609 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.06818 177.6
[M+Na]+ 377.05012 191.8
[M-H]- 353.05362 185.3
[M+NH4]+ 372.09472 192.2
[M+K]+ 393.02406 183.0
[M+H-H2O]+ 337.05816 171.7
[M+HCOO]- 399.05910 191.1
[M+CH3COO]- 413.07475 189.3
[M+Na-2H]- 375.03557 176.7
[M]+ 354.06035 182.3
[M]- 354.06145 182.3
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.