CID 511758

Chembl99915

Structural Information

Molecular Formula
C10H13N3OS
SMILES
CC(CSCC1=CN=C2N1C=CC=N2)O
InChI
InChI=1S/C10H13N3OS/c1-8(14)6-15-7-9-5-12-10-11-3-2-4-13(9)10/h2-5,8,14H,6-7H2,1H3
InChIKey
DQBVIGRDPONBFV-UHFFFAOYSA-N
Compound name
1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.07793 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08521 146.7
[M+Na]+ 246.06715 157.1
[M-H]- 222.07065 146.8
[M+NH4]+ 241.11175 164.3
[M+K]+ 262.04109 153.1
[M+H-H2O]+ 206.07519 139.8
[M+HCOO]- 268.07613 162.0
[M+CH3COO]- 282.09178 159.0
[M+Na-2H]- 244.05260 150.4
[M]+ 223.07738 151.4
[M]- 223.07848 151.4
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.