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

literature stripe

Patent stripe

patents stripe