CID 217036

Lt 87

Structural Information

Molecular Formula
C12H20N4O2S
SMILES
CN1CCN(CC1)C2=C(C=CC=N2)S(=O)(=O)N(C)C
InChI
InChI=1S/C12H20N4O2S/c1-14(2)19(17,18)11-5-4-6-13-12(11)16-9-7-15(3)8-10-16/h4-6H,7-10H2,1-3H3
InChIKey
PMPMEZCCQFMPGI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1307 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13798 163.4
[M+Na]+ 307.11992 174.1
[M+NH4]+ 302.16452 169.7
[M+K]+ 323.09386 167.7
[M-H]- 283.12342 165.1
[M+Na-2H]- 305.10537 169.2
[M]+ 284.13015 165.7
[M]- 284.13125 165.7
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.