CID 9868983

Rgh-1756

Structural Information

Molecular Formula
C26H30N4O2S
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCOC3=CC=C(C=C3)C4=CN5C=CSC5=N4
InChI
InChI=1S/C26H30N4O2S/c1-31-25-7-3-2-6-24(25)29-15-13-28(14-16-29)12-4-5-18-32-22-10-8-21(9-11-22)23-20-30-17-19-33-26(30)27-23/h2-3,6-11,17,19-20H,4-5,12-16,18H2,1H3
InChIKey
XFCPMLXQURUUPM-UHFFFAOYSA-N
Compound name
6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

22
Patents

462.20895 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21623 210.4
[M+Na]+ 485.19817 225.1
[M+NH4]+ 480.24277 217.8
[M+K]+ 501.17211 217.3
[M-H]- 461.20167 216.9
[M+Na-2H]- 483.18362 218.8
[M]+ 462.20840 214.9
[M]- 462.20950 214.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe