CID 3042921

Lt 126

Structural Information

Molecular Formula
C13H22N4O2S
SMILES
CCCNS(=O)(=O)C1=C(N=CC=C1)N2CCN(CC2)C
InChI
InChI=1S/C13H22N4O2S/c1-3-6-15-20(18,19)12-5-4-7-14-13(12)17-10-8-16(2)9-11-17/h4-5,7,15H,3,6,8-11H2,1-2H3
InChIKey
DLAFTNILBOCSMR-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.14636 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15364 169.5
[M+Na]+ 321.13558 175.4
[M-H]- 297.13908 171.4
[M+NH4]+ 316.18018 180.7
[M+K]+ 337.10952 171.0
[M+H-H2O]+ 281.14362 160.4
[M+HCOO]- 343.14456 181.1
[M+CH3COO]- 357.16021 202.1
[M+Na-2H]- 319.12103 172.2
[M]+ 298.14581 168.6
[M]- 298.14691 168.6
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.