CID 3071740

Brn 5347812

Structural Information

Molecular Formula
C12H21N3O3S
SMILES
CCOC1=C(C=NC=C1)S(=O)(=O)NCCCN(C)C
InChI
InChI=1S/C12H21N3O3S/c1-4-18-11-6-8-13-10-12(11)19(16,17)14-7-5-9-15(2)3/h6,8,10,14H,4-5,7,9H2,1-3H3
InChIKey
XEQAQHROLLRVFS-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-4-ethoxypyridine-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 164.9
[M+Na]+ 310.11959 170.9
[M-H]- 286.12309 168.2
[M+NH4]+ 305.16419 179.8
[M+K]+ 326.09353 168.9
[M+H-H2O]+ 270.12763 156.8
[M+HCOO]- 332.12857 183.7
[M+CH3COO]- 346.14422 206.0
[M+Na-2H]- 308.10504 168.8
[M]+ 287.12982 170.8
[M]- 287.13092 170.8
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.