CID 198843

3458-61-5

Structural Information

Molecular Formula
C20H25N5O2S
SMILES
CS(=O)C1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)CN4CCN(CC4)CCO
InChI
InChI=1S/C20H25N5O2S/c1-28(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
ZBFNUEMFNSGWOQ-UHFFFAOYSA-N
Compound name
2-[4-[[2-(4-methylsulfinylphenyl)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

399.17288 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.180156 194.2
[M+Na]+ 422.162098 202.2
[M-H]- 398.165604 197.1
[M+NH4]+ 417.206703 201.0
[M+K]+ 438.136038 194.8
[M+H-H2O]+ 382.170140 183.6
[M+HCOO]- 444.171081 202.3
[M+CH3COO]- 458.186731 201.5
[M+Na-2H]- 420.147546 192.7
[M]+ 399.17233142 195.6
[M]- 399.17342858 195.6
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.