CID 5361901

Nsc665991

Structural Information

Molecular Formula
C12H18N4S
SMILES
CCN(CC)C(=S)N/N=C(/C)\C1=CC=CC=N1
InChI
InChI=1S/C12H18N4S/c1-4-16(5-2)12(17)15-14-10(3)11-8-6-7-9-13-11/h6-9H,4-5H2,1-3H3,(H,15,17)/b14-10-
InChIKey
VZPRMPFBZIODPK-UVTDQMKNSA-N
Compound name
1,1-diethyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

250.12521 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13249 159.0
[M+Na]+ 273.11443 163.5
[M-H]- 249.11793 163.5
[M+NH4]+ 268.15903 175.6
[M+K]+ 289.08837 161.4
[M+H-H2O]+ 233.12247 150.3
[M+HCOO]- 295.12341 179.1
[M+CH3COO]- 309.13906 205.4
[M+Na-2H]- 271.09988 161.2
[M]+ 250.12466 160.6
[M]- 250.12576 160.6
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.