CID 3087657

Brn 5347926

Structural Information

Molecular Formula
C12H21N3O3S
SMILES
CCN(CC)CCNS(=O)(=O)C1=C(C=CN=C1)OC
InChI
InChI=1S/C12H21N3O3S/c1-4-15(5-2)9-8-14-19(16,17)12-10-13-7-6-11(12)18-3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKey
MKCNLWUTWQQHQW-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.13037 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13765 165.6
[M+Na]+ 310.11959 174.3
[M+NH4]+ 305.16419 171.4
[M+K]+ 326.09353 167.9
[M-H]- 286.12309 166.3
[M+Na-2H]- 308.10504 170.0
[M]+ 287.12982 167.2
[M]- 287.13092 167.2
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.