CID 6509867

4-morpholinecarbothioic acid, (1-(2-pyridinyl)ethylidene)hydrazide

Structural Information

Molecular Formula
C12H16N4OS
SMILES
C/C(=N/NC(=S)N1CCOCC1)/C2=CC=CC=N2
InChI
InChI=1S/C12H16N4OS/c1-10(11-4-2-3-5-13-11)14-15-12(18)16-6-8-17-9-7-16/h2-5H,6-9H2,1H3,(H,15,18)/b14-10-
InChIKey
FIGPFUPBRRMVLZ-UVTDQMKNSA-N
Compound name
N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.1045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11178 160.1
[M+Na]+ 287.09372 164.0
[M-H]- 263.09722 164.9
[M+NH4]+ 282.13832 172.6
[M+K]+ 303.06766 161.7
[M+H-H2O]+ 247.10176 150.7
[M+HCOO]- 309.10270 174.4
[M+CH3COO]- 323.11835 198.6
[M+Na-2H]- 285.07917 163.3
[M]+ 264.10395 156.9
[M]- 264.10505 156.9
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.