CID 9588953

(e)-2-(3-hydroxy-1-methyl-3-(2-pyridinyl)propylidene)hydrazinecarbothioamide

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]+ 239.09612 153.0
[M+Na]+ 261.07806 157.3
[M-H]- 237.08156 154.4
[M+NH4]+ 256.12266 168.2
[M+K]+ 277.05200 154.1
[M+H-H2O]+ 221.08610 145.0
[M+HCOO]- 283.08704 170.4
[M+CH3COO]- 297.10269 196.7
[M+Na-2H]- 259.06351 154.5
[M]+ 238.08829 150.5
[M]- 238.08939 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.