CID 9588957

(e,e)-2-(1-methyl-3-(4-pyridinyl)-2-propenylidene)hydrazinecarbothioamide

Structural Information

Molecular Formula
C10H12N4S
SMILES
C/C(=N\NC(=S)N)/C=C/C1=CC=NC=C1
InChI
InChI=1S/C10H12N4S/c1-8(13-14-10(11)15)2-3-9-4-6-12-7-5-9/h2-7H,1H3,(H3,11,14,15)/b3-2+,13-8+
InChIKey
BSUKJBLSIRYWJK-KFKHOQBUSA-N
Compound name
[(E)-[(E)-4-pyridin-4-ylbut-3-en-2-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07826 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08554 149.0
[M+Na]+ 243.06748 157.7
[M+NH4]+ 238.11208 156.1
[M+K]+ 259.04142 150.2
[M-H]- 219.07098 151.5
[M+Na-2H]- 241.05293 154.5
[M]+ 220.07771 151.0
[M]- 220.07881 151.0
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.