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]+ 400.18016 194.2
[M+Na]+ 422.16210 202.2
[M-H]- 398.16560 197.1
[M+NH4]+ 417.20670 201.0
[M+K]+ 438.13604 194.8
[M+H-H2O]+ 382.17014 183.6
[M+HCOO]- 444.17108 202.3
[M+CH3COO]- 458.18673 201.5
[M+Na-2H]- 420.14755 192.7
[M]+ 399.17233 195.6
[M]- 399.17343 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.