CID 3041869

4-((4-((4-methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)morpholine maleate (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]+ 368.16388 185.2
[M+Na]+ 390.14582 188.3
[M-H]- 366.14932 189.7
[M+NH4]+ 385.19042 191.5
[M+K]+ 406.11976 185.5
[M+H-H2O]+ 350.15386 175.0
[M+HCOO]- 412.15480 190.5
[M+CH3COO]- 426.17045 210.9
[M+Na-2H]- 388.13127 185.0
[M]+ 367.15605 181.7
[M]- 367.15715 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.