CID 9579102

1-allyl-3-[(e)-1-(2-pyridyl)propylideneamino]thiourea

Structural Information

Molecular Formula
C12H16N4S
SMILES
CC/C(=N\NC(=S)NCC=C)/C1=CC=CC=N1
InChI
InChI=1S/C12H16N4S/c1-3-8-14-12(17)16-15-10(4-2)11-7-5-6-9-13-11/h3,5-7,9H,1,4,8H2,2H3,(H2,14,16,17)/b15-10+
InChIKey
AJINJYZRECYZFO-XNTDXEJSSA-N
Compound name
1-prop-2-enyl-3-[(E)-1-pyridin-2-ylpropylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.10957 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11685 157.3
[M+Na]+ 271.09879 162.0
[M-H]- 247.10229 160.3
[M+NH4]+ 266.14339 173.3
[M+K]+ 287.07273 157.8
[M+H-H2O]+ 231.10683 148.8
[M+HCOO]- 293.10777 177.1
[M+CH3COO]- 307.12342 201.2
[M+Na-2H]- 269.08424 160.2
[M]+ 248.10902 156.8
[M]- 248.11012 156.8
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.