CID 53679

77563-08-7

Structural Information

Molecular Formula
C25H34N4OS
SMILES
CC(C)OC1=NC2=C(S1)C=C(C=C2)NC(C)CN3CCN(CC3)CCC4=CC=CC=C4
InChI
InChI=1S/C25H34N4OS/c1-19(2)30-25-27-23-10-9-22(17-24(23)31-25)26-20(3)18-29-15-13-28(14-16-29)12-11-21-7-5-4-6-8-21/h4-10,17,19-20,26H,11-16,18H2,1-3H3
InChIKey
LKPRCHRORNJZDV-UHFFFAOYSA-N
Compound name
N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-2-propan-2-yloxy-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.24533 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.25261 205.2
[M+Na]+ 461.23455 217.4
[M+NH4]+ 456.27915 212.5
[M+K]+ 477.20849 209.0
[M-H]- 437.23805 210.8
[M+Na-2H]- 459.22000 212.2
[M]+ 438.24478 208.9
[M]- 438.24588 208.9
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.