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 169.4
[M+Na]+ 320.14032 174.9
[M-H]- 296.14382 172.0
[M+NH4]+ 315.18492 181.8
[M+K]+ 336.11426 170.1
[M+H-H2O]+ 280.14836 160.9
[M+HCOO]- 342.14930 181.4
[M+CH3COO]- 356.16495 201.7
[M+Na-2H]- 318.12577 170.6
[M]+ 297.15055 167.4
[M]- 297.15165 167.4
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

patents stripe