CID 71757271

2-methyl-4-{4h,5h,6h,7h-thieno[3,2-c]pyridin-2-yl}-1,3-thiazole

Structural Information

Molecular Formula
C11H12N2S2
SMILES
CC1=NC(=CS1)C2=CC3=C(S2)CCNC3
InChI
InChI=1S/C11H12N2S2/c1-7-13-9(6-14-7)11-4-8-5-12-3-2-10(8)15-11/h4,6,12H,2-3,5H2,1H3
InChIKey
CKJIXPZEBBPLQB-UHFFFAOYSA-N
Compound name
2-(2-methyl-1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.04419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05147 147.6
[M+Na]+ 259.03341 159.5
[M-H]- 235.03691 152.6
[M+NH4]+ 254.07801 168.6
[M+K]+ 275.00735 154.2
[M+H-H2O]+ 219.04145 142.9
[M+HCOO]- 281.04239 159.4
[M+CH3COO]- 295.05804 160.7
[M+Na-2H]- 257.01886 147.0
[M]+ 236.04364 149.3
[M]- 236.04474 149.3
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.