CID 9588951

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

Structural Information

Molecular Formula
C10H12N4S
SMILES
C/C(=N\NC(=S)N)/C=C/C1=CC=CC=N1
InChI
InChI=1S/C10H12N4S/c1-8(13-14-10(11)15)5-6-9-4-2-3-7-12-9/h2-7H,1H3,(H3,11,14,15)/b6-5+,13-8+
InChIKey
NIQMZYRZBKXECB-RJZLBLBSSA-N
Compound name
[(E)-[(E)-4-pyridin-2-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 148.9
[M+Na]+ 243.06748 154.5
[M-H]- 219.07098 151.7
[M+NH4]+ 238.11208 165.7
[M+K]+ 259.04142 150.4
[M+H-H2O]+ 203.07552 140.8
[M+HCOO]- 265.07646 168.7
[M+CH3COO]- 279.09211 194.5
[M+Na-2H]- 241.05293 151.7
[M]+ 220.07771 146.7
[M]- 220.07881 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.