CID 198841

3458-60-4

Structural Information

Molecular Formula
C20H25N5OS
SMILES
CSC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)CN4CCN(CC4)CCO
InChI
InChI=1S/C20H25N5OS/c1-27-17-5-3-16(4-6-17)19-18(25-8-2-7-21-20(25)22-19)15-24-11-9-23(10-12-24)13-14-26/h2-8,26H,9-15H2,1H3
InChIKey
IZABYMQFNLXLPK-UHFFFAOYSA-N
Compound name
2-[4-[[2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.17798 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18526 191.2
[M+Na]+ 406.16720 205.9
[M+NH4]+ 401.21180 198.1
[M+K]+ 422.14114 197.4
[M-H]- 382.17070 195.1
[M+Na-2H]- 404.15265 198.2
[M]+ 383.17743 194.9
[M]- 383.17853 194.9
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.