CID 9588957

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

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]+ 221.085536 148.9
[M+Na]+ 243.067478 154.5
[M-H]- 219.070984 151.7
[M+NH4]+ 238.112083 165.7
[M+K]+ 259.041418 150.4
[M+H-H2O]+ 203.075520 140.8
[M+HCOO]- 265.076461 168.7
[M+CH3COO]- 279.092111 194.5
[M+Na-2H]- 241.052926 151.7
[M]+ 220.07771142 146.7
[M]- 220.07880858 146.7
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.