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 191.4
[M+Na]+ 406.16720 200.0
[M-H]- 382.17070 194.2
[M+NH4]+ 401.21180 199.2
[M+K]+ 422.14114 191.8
[M+H-H2O]+ 366.17524 180.6
[M+HCOO]- 428.17618 200.3
[M+CH3COO]- 442.19183 199.1
[M+Na-2H]- 404.15265 190.7
[M]+ 383.17743 192.7
[M]- 383.17853 192.7
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.