CID 3302764

2-(4-methylpiperazin-1-yl)-5-(piperidine-1-sulfonyl)aniline

Structural Information

Molecular Formula
C16H26N4O2S
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N
InChI
InChI=1S/C16H26N4O2S/c1-18-9-11-19(12-10-18)16-6-5-14(13-15(16)17)23(21,22)20-7-3-2-4-8-20/h5-6,13H,2-4,7-12,17H2,1H3
InChIKey
QKNXZXOCHILSCB-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.17764 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18492 180.7
[M+Na]+ 361.16686 184.6
[M-H]- 337.17036 184.3
[M+NH4]+ 356.21146 189.5
[M+K]+ 377.14080 179.2
[M+H-H2O]+ 321.17490 170.7
[M+HCOO]- 383.17584 187.8
[M+CH3COO]- 397.19149 209.0
[M+Na-2H]- 359.15231 180.2
[M]+ 338.17709 173.6
[M]- 338.17819 173.6
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.