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]+ 355.068176 177.6
[M+Na]+ 377.050118 191.8
[M-H]- 353.053624 185.3
[M+NH4]+ 372.094723 192.2
[M+K]+ 393.024058 183.0
[M+H-H2O]+ 337.058160 171.7
[M+HCOO]- 399.059101 191.1
[M+CH3COO]- 413.074751 189.3
[M+Na-2H]- 375.035566 176.7
[M]+ 354.06035142 182.3
[M]- 354.06144858 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.