CID 28273548

4-(4-(propane-1-sulfonyl)-piperazin-1-ylmethyl)-phenylamine

Structural Information

Molecular Formula
C14H23N3O2S
SMILES
CCCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C14H23N3O2S/c1-2-11-20(18,19)17-9-7-16(8-10-17)12-13-3-5-14(15)6-4-13/h3-6H,2,7-12,15H2,1H3
InChIKey
JXFHBXOSVAJQLP-UHFFFAOYSA-N
Compound name
4-[(4-propylsulfonylpiperazin-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

297.1511 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15838 168.5
[M+Na]+ 320.14032 178.6
[M+NH4]+ 315.18492 175.0
[M+K]+ 336.11426 171.1
[M-H]- 296.14382 170.5
[M+Na-2H]- 318.12577 173.6
[M]+ 297.15055 170.8
[M]- 297.15165 170.8
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

patents stripe