CID 491020

Chembl59574

Structural Information

Molecular Formula
C11H14N2OS
SMILES
CC1=CC2=NC=C(N2C=C1)CSCCO
InChI
InChI=1S/C11H14N2OS/c1-9-2-3-13-10(8-15-5-4-14)7-12-11(13)6-9/h2-3,6-7,14H,4-5,8H2,1H3
InChIKey
SAYRRWAEQGZZQZ-UHFFFAOYSA-N
Compound name
2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08269 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08997 146.7
[M+Na]+ 245.07191 157.8
[M-H]- 221.07541 148.3
[M+NH4]+ 240.11651 166.1
[M+K]+ 261.04585 153.3
[M+H-H2O]+ 205.07995 140.5
[M+HCOO]- 267.08089 164.0
[M+CH3COO]- 281.09654 159.8
[M+Na-2H]- 243.05736 150.4
[M]+ 222.08214 152.2
[M]- 222.08324 152.2
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.