CID 121230730

(e)-but-2-enedioic acid;n-(2-(2-(4-(2-(2-hydroxyethoxy)ethyl)piperazine-1-carbonyl)phenyl)sulfanylphenyl)acetamide

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 205.0
[M+Na]+ 466.17709 206.7
[M-H]- 442.18059 208.9
[M+NH4]+ 461.22169 210.0
[M+K]+ 482.15103 201.1
[M+H-H2O]+ 426.18513 194.1
[M+HCOO]- 488.18607 214.4
[M+CH3COO]- 502.20172 228.0
[M+Na-2H]- 464.16254 202.4
[M]+ 443.18732 204.9
[M]- 443.18842 204.9
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.