CID 5371064

70618-67-6

Structural Information

Molecular Formula
C11H14N4S
SMILES
C/C(=N\NC(=S)NCC=C)/C1=CC=CC=N1
InChI
InChI=1S/C11H14N4S/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h3-6,8H,1,7H2,2H3,(H2,13,15,16)/b14-9+
InChIKey
FDKSOUXJZSXTHD-NTEUORMPSA-N
Compound name
1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

13
Patents

234.09392 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10120 153.0
[M+Na]+ 257.08314 158.2
[M-H]- 233.08664 156.2
[M+NH4]+ 252.12774 169.5
[M+K]+ 273.05708 154.2
[M+H-H2O]+ 217.09118 144.7
[M+HCOO]- 279.09212 173.2
[M+CH3COO]- 293.10777 198.2
[M+Na-2H]- 255.06859 156.4
[M]+ 234.09337 152.2
[M]- 234.09447 152.2
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.