CID 3060016

77576-48-8

Structural Information

Molecular Formula
C27H36N4O2S
SMILES
CCC(=O)N(C1=CC2=C(C=C1)N=C(S2)OCC)C(C)CN3CCN(CC3)CCC4=CC=CC=C4
InChI
InChI=1S/C27H36N4O2S/c1-4-26(32)31(23-11-12-24-25(19-23)34-27(28-24)33-5-2)21(3)20-30-17-15-29(16-18-30)14-13-22-9-7-6-8-10-22/h6-12,19,21H,4-5,13-18,20H2,1-3H3
InChIKey
DWWOORRNAUQOPF-UHFFFAOYSA-N
Compound name
N-(2-ethoxy-1,3-benzothiazol-6-yl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.2559 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.26318 215.0
[M+Na]+ 503.24512 226.5
[M+NH4]+ 498.28972 221.3
[M+K]+ 519.21906 218.6
[M-H]- 479.24862 220.1
[M+Na-2H]- 501.23057 221.5
[M]+ 480.25535 218.4
[M]- 480.25645 218.4
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.