CID 9588953

Hydrazinecarbothioamide, 2-(3-hydroxy-1-methyl-3-(2-pyridinyl)propylidene)-, (e)-

Structural Information

Molecular Formula
C10H14N4OS
SMILES
C/C(=N\NC(=S)N)/CC(C1=CC=CC=N1)O
InChI
InChI=1S/C10H14N4OS/c1-7(13-14-10(11)16)6-9(15)8-4-2-3-5-12-8/h2-5,9,15H,6H2,1H3,(H3,11,14,16)/b13-7+
InChIKey
ZFTKVOOXUAEXIB-NTUHNPAUSA-N
Compound name
[(E)-(4-hydroxy-4-pyridin-2-ylbutan-2-ylidene)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.08884 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.096116 153.0
[M+Na]+ 261.078058 157.3
[M-H]- 237.081564 154.4
[M+NH4]+ 256.122663 168.2
[M+K]+ 277.051998 154.1
[M+H-H2O]+ 221.086100 145.0
[M+HCOO]- 283.087041 170.4
[M+CH3COO]- 297.102691 196.7
[M+Na-2H]- 259.063506 154.5
[M]+ 238.08829142 150.5
[M]- 238.08938858 150.5
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.