CID 3051119

67292-95-9

Structural Information

Molecular Formula
C21H26N4O2S
SMILES
CS(=O)C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)CC4CN(CCN4)CCO
InChI
InChI=1S/C21H26N4O2S/c1-28(27)18-7-5-16(6-8-18)21-19(25-10-3-2-4-20(25)23-21)14-17-15-24(12-13-26)11-9-22-17/h2-8,10,17,22,26H,9,11-15H2,1H3
InChIKey
RAUITCQTTOKXJE-UHFFFAOYSA-N
Compound name
2-[3-[[2-(4-methylsulfinylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.17764 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18492 193.8
[M+Na]+ 421.16686 200.9
[M-H]- 397.17036 196.5
[M+NH4]+ 416.21146 201.4
[M+K]+ 437.14080 192.8
[M+H-H2O]+ 381.17490 184.0
[M+HCOO]- 443.17584 201.5
[M+CH3COO]- 457.19149 200.9
[M+Na-2H]- 419.15231 191.8
[M]+ 398.17709 193.5
[M]- 398.17819 193.5
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.