CID 3041877

4-((4-((4-phenyl-1-piperazinyl)acetyl)phenyl)sulfonyl)morpholine maleate hydrate (2:2:3)

Structural Information

Molecular Formula
C22H27N3O4S
SMILES
C1CN(CCN1CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H27N3O4S/c26-22(18-23-10-12-24(13-11-23)20-4-2-1-3-5-20)19-6-8-21(9-7-19)30(27,28)25-14-16-29-17-15-25/h1-9H,10-18H2
InChIKey
ABAFZMJQSQCUOJ-UHFFFAOYSA-N
Compound name
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.17224 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.17952 200.2
[M+Na]+ 452.16146 202.3
[M-H]- 428.16496 207.1
[M+NH4]+ 447.20606 203.1
[M+K]+ 468.13540 198.1
[M+H-H2O]+ 412.16950 188.2
[M+HCOO]- 474.17044 205.1
[M+CH3COO]- 488.18609 205.8
[M+Na-2H]- 450.14691 200.1
[M]+ 429.17169 195.4
[M]- 429.17279 195.4
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.