CID 336258

77563-06-5

Structural Information

Molecular Formula
C24H32N4OS
SMILES
CCOC1=NC2=C(S1)C=C(C=C2)NC(C)CN3CCN(CC3)CCC4=CC=CC=C4
InChI
InChI=1S/C24H32N4OS/c1-3-29-24-26-22-10-9-21(17-23(22)30-24)25-19(2)18-28-15-13-27(14-16-28)12-11-20-7-5-4-6-8-20/h4-10,17,19,25H,3,11-16,18H2,1-2H3
InChIKey
FRGQJVICSVLKGH-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.22968 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.23696 201.4
[M+Na]+ 447.21890 206.2
[M-H]- 423.22240 206.9
[M+NH4]+ 442.26350 210.1
[M+K]+ 463.19284 199.2
[M+H-H2O]+ 407.22694 190.4
[M+HCOO]- 469.22788 213.0
[M+CH3COO]- 483.24353 208.5
[M+Na-2H]- 445.20435 200.2
[M]+ 424.22913 203.2
[M]- 424.23023 203.2
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.