CID 3041865

1-((4-((4-methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)pyrrolidine maleate hydrate (1:2:1)

Structural Information

Molecular Formula
C17H25N3O3S
SMILES
CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3
InChI
InChI=1S/C17H25N3O3S/c1-18-10-12-19(13-11-18)14-17(21)15-4-6-16(7-5-15)24(22,23)20-8-2-3-9-20/h4-7H,2-3,8-14H2,1H3
InChIKey
ZRFSFVULQBYRIW-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.16165 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16893 183.6
[M+Na]+ 374.15087 187.9
[M-H]- 350.15437 188.3
[M+NH4]+ 369.19547 194.1
[M+K]+ 390.12481 183.8
[M+H-H2O]+ 334.15891 174.5
[M+HCOO]- 396.15985 191.8
[M+CH3COO]- 410.17550 207.7
[M+Na-2H]- 372.13632 180.8
[M]+ 351.16110 180.7
[M]- 351.16220 180.7
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.