CID 135770176

N-hydroxy-4-pyridinecarboximidothioic acid 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C12H19N3OS
SMILES
CCN(CC)CCS/C(=N\O)/C1=CC=NC=C1
InChI
InChI=1S/C12H19N3OS/c1-3-15(4-2)9-10-17-12(14-16)11-5-7-13-8-6-11/h5-8,16H,3-4,9-10H2,1-2H3/b14-12-
InChIKey
SRTOBSQFSVSZDT-OWBHPGMISA-N
Compound name
2-(diethylamino)ethyl (4Z)-N-hydroxypyridine-4-carboximidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.12488 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13216 158.5
[M+Na]+ 276.11410 167.8
[M+NH4]+ 271.15870 165.9
[M+K]+ 292.08804 159.8
[M-H]- 252.11760 160.8
[M+Na-2H]- 274.09955 163.9
[M]+ 253.12433 160.7
[M]- 253.12543 160.7
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.