CID 3071738

Brn 5348623

Structural Information

Molecular Formula
C13H23N3O3S
SMILES
CCN(CC)CCNS(=O)(=O)C1=C(C=CN=C1)OCC
InChI
InChI=1S/C13H23N3O3S/c1-4-16(5-2)10-9-15-20(17,18)13-11-14-8-7-12(13)19-6-3/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKey
ITXNMLQSADZCHV-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.14603 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15331 169.3
[M+Na]+ 324.13525 174.8
[M-H]- 300.13875 172.4
[M+NH4]+ 319.17985 183.5
[M+K]+ 340.10919 172.6
[M+H-H2O]+ 284.14329 160.9
[M+HCOO]- 346.14423 187.7
[M+CH3COO]- 360.15988 209.0
[M+Na-2H]- 322.12070 172.7
[M]+ 301.14548 175.5
[M]- 301.14658 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.