CID 3041865

58722-43-3

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]+ 352.168926 183.6
[M+Na]+ 374.150868 187.9
[M-H]- 350.154374 188.3
[M+NH4]+ 369.195473 194.1
[M+K]+ 390.124808 183.8
[M+H-H2O]+ 334.158910 174.5
[M+HCOO]- 396.159851 191.8
[M+CH3COO]- 410.175501 207.7
[M+Na-2H]- 372.136316 180.8
[M]+ 351.16110142 180.7
[M]- 351.16219858 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.