CID 101656410

Hn-10200

Structural Information

Molecular Formula
C12H11N3O2S2
SMILES
COC1=C(SC=C1S(=O)C)C2=NC3=C(N2)C=CC=N3
InChI
InChI=1S/C12H11N3O2S2/c1-17-9-8(19(2)16)6-18-10(9)12-14-7-4-3-5-13-11(7)15-12/h3-6H,1-2H3,(H,13,14,15)
InChIKey
WUXLGRPRVSOZPL-UHFFFAOYSA-N
Compound name
2-(3-methoxy-4-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.02927 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.03655 161.4
[M+Na]+ 316.01849 174.8
[M-H]- 292.02199 166.1
[M+NH4]+ 311.06309 178.7
[M+K]+ 331.99243 169.5
[M+H-H2O]+ 276.02653 156.2
[M+HCOO]- 338.02747 173.8
[M+CH3COO]- 352.04312 174.0
[M+Na-2H]- 314.00394 160.7
[M]+ 293.02872 168.2
[M]- 293.02982 168.2
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.