CID 3060012

2-isopropoxy-6-(n-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2c2h2o4

Structural Information

Molecular Formula
C28H38N4O2S
SMILES
CCC(=O)N(C1=CC2=C(C=C1)N=C(S2)OC(C)C)C(C)CN3CCN(CC3)CCC4=CC=CC=C4
InChI
InChI=1S/C28H38N4O2S/c1-5-27(33)32(24-11-12-25-26(19-24)35-28(29-25)34-21(2)3)22(4)20-31-17-15-30(16-18-31)14-13-23-9-7-6-8-10-23/h6-12,19,21-22H,5,13-18,20H2,1-4H3
InChIKey
HIDXRFCODSAWGJ-UHFFFAOYSA-N
Compound name
N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-N-(2-propan-2-yloxy-1,3-benzothiazol-6-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.27155 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.27883 221.5
[M+Na]+ 517.26077 223.6
[M-H]- 493.26427 227.9
[M+NH4]+ 512.30537 227.4
[M+K]+ 533.23471 218.6
[M+H-H2O]+ 477.26881 210.1
[M+HCOO]- 539.26975 230.3
[M+CH3COO]- 553.28540 245.3
[M+Na-2H]- 515.24622 216.2
[M]+ 494.27100 225.3
[M]- 494.27210 225.3
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.