CID 200731

Brn 0632719

Structural Information

Molecular Formula
C21H26N4O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)CN4CCN(CC4)CCO
InChI
InChI=1S/C21H26N4O3S/c1-29(27,28)18-7-5-17(6-8-18)21-19(25-9-3-2-4-20(25)22-21)16-24-12-10-23(11-13-24)14-15-26/h2-9,26H,10-16H2,1H3
InChIKey
DMIICUGJEKFDNC-UHFFFAOYSA-N
Compound name
2-[4-[[2-(4-methylsulfonylphenyl)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

414.17258 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17986 200.2
[M+Na]+ 437.16180 208.3
[M-H]- 413.16530 204.4
[M+NH4]+ 432.20640 207.7
[M+K]+ 453.13574 201.1
[M+H-H2O]+ 397.16984 190.3
[M+HCOO]- 459.17078 208.9
[M+CH3COO]- 473.18643 207.8
[M+Na-2H]- 435.14725 200.4
[M]+ 414.17203 202.1
[M]- 414.17313 202.1
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.