CID 198846

3458-63-7

Structural Information

Molecular Formula
C20H25N5O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)CN4CCN(CC4)CCO
InChI
InChI=1S/C20H25N5O3S/c1-29(27,28)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
JXZZQZRHAGLPCB-UHFFFAOYSA-N
Compound name
2-[4-[[2-(4-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 197.1
[M+Na]+ 438.15704 210.4
[M+NH4]+ 433.20164 202.0
[M+K]+ 454.13098 204.1
[M-H]- 414.16054 199.0
[M+Na-2H]- 436.14249 203.2
[M]+ 415.16727 199.8
[M]- 415.16837 199.8
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.