CID 3041869

Morpholine, 4-((4-((4-methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)-, (z)-2-butenedioate (1:2)

Structural Information

Molecular Formula
C17H25N3O4S
SMILES
CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3
InChI
InChI=1S/C17H25N3O4S/c1-18-6-8-19(9-7-18)14-17(21)15-2-4-16(5-3-15)25(22,23)20-10-12-24-13-11-20/h2-5H,6-14H2,1H3
InChIKey
HNWQJQHBPTYPHZ-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1566 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.163876 185.2
[M+Na]+ 390.145818 188.3
[M-H]- 366.149324 189.7
[M+NH4]+ 385.190423 191.5
[M+K]+ 406.119758 185.5
[M+H-H2O]+ 350.153860 175.0
[M+HCOO]- 412.154801 190.5
[M+CH3COO]- 426.170451 210.9
[M+Na-2H]- 388.131266 185.0
[M]+ 367.15605142 181.7
[M]- 367.15714858 181.7
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.