CID 198839

3458-58-0

Structural Information

Molecular Formula
C20H25N5O3S
SMILES
CS(=O)(=O)C1=CC=CC=C1C2=C(N3C=CC=NC3=N2)CN4CCN(CC4)CCO
InChI
InChI=1S/C20H25N5O3S/c1-29(27,28)18-6-3-2-5-16(18)19-17(25-8-4-7-21-20(25)22-19)15-24-11-9-23(10-12-24)13-14-26/h2-8,26H,9-15H2,1H3
InChIKey
JPXPOSJCHBLQLJ-UHFFFAOYSA-N
Compound name
2-[4-[[2-(2-methylsulfonylphenyl)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

415.16782 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.17510 200.3
[M+Na]+ 438.15704 208.8
[M-H]- 414.16054 203.4
[M+NH4]+ 433.20164 206.4
[M+K]+ 454.13098 201.5
[M+H-H2O]+ 398.16508 190.1
[M+HCOO]- 460.16602 208.0
[M+CH3COO]- 474.18167 207.5
[M+Na-2H]- 436.14249 200.9
[M]+ 415.16727 202.3
[M]- 415.16837 202.3
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.