CID 201133

Brn 0629486

Structural Information

Molecular Formula
C21H26N4OS
SMILES
CSC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)CN4CCN(CC4)CCO
InChI
InChI=1S/C21H26N4OS/c1-27-18-7-5-17(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
TVHRIUZAQLKZLC-UHFFFAOYSA-N
Compound name
2-[4-[[2-(4-methylsulfanylphenyl)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

382.18274 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19002 191.5
[M+Na]+ 405.17196 199.6
[M-H]- 381.17546 195.4
[M+NH4]+ 400.21656 200.7
[M+K]+ 421.14590 191.5
[M+H-H2O]+ 365.18000 181.1
[M+HCOO]- 427.18094 201.3
[M+CH3COO]- 441.19659 199.5
[M+Na-2H]- 403.15741 190.4
[M]+ 382.18219 192.7
[M]- 382.18329 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.