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 164.6
[M+Na]+ 307.11992 171.2
[M-H]- 283.12342 168.3
[M+NH4]+ 302.16452 177.1
[M+K]+ 323.09386 168.4
[M+H-H2O]+ 267.12796 155.6
[M+HCOO]- 329.12890 177.0
[M+CH3COO]- 343.14455 202.5
[M+Na-2H]- 305.10537 167.2
[M]+ 284.13015 164.7
[M]- 284.13125 164.7
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.