CID 121230730

2734483-49-7

Structural Information

Molecular Formula
C23H29N3O4S
SMILES
CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2C(=O)N3CCN(CC3)CCOCCO
InChI
InChI=1S/C23H29N3O4S/c1-18(28)24-20-7-3-5-9-22(20)31-21-8-4-2-6-19(21)23(29)26-12-10-25(11-13-26)14-16-30-17-15-27/h2-9,27H,10-17H2,1H3,(H,24,28)
InChIKey
LJMAGQBUYLSXRO-UHFFFAOYSA-N
Compound name
N-[2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]phenyl]sulfanylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.18787 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.19515 204.6
[M+Na]+ 466.17709 214.5
[M+NH4]+ 461.22169 209.3
[M+K]+ 482.15103 206.5
[M-H]- 442.18059 208.1
[M+Na-2H]- 464.16254 210.2
[M]+ 443.18732 207.1
[M]- 443.18842 207.1
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.