CID 5742652

3670-09-5

Structural Information

Molecular Formula
C14H14N4S
SMILES
C1=CC=C(C=C1)C/C(=N/NC(=S)N)/C2=CC=NC=C2
InChI
InChI=1S/C14H14N4S/c15-14(19)18-17-13(12-6-8-16-9-7-12)10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,15,18,19)/b17-13-
InChIKey
CVQASXWBCAHHDA-LGMDPLHJSA-N
Compound name
[(Z)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

270.0939 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.101176 159.9
[M+Na]+ 293.083118 165.0
[M-H]- 269.086624 165.7
[M+NH4]+ 288.127723 174.4
[M+K]+ 309.057058 159.8
[M+H-H2O]+ 253.091160 150.8
[M+HCOO]- 315.092101 180.1
[M+CH3COO]- 329.107751 203.8
[M+Na-2H]- 291.068566 164.1
[M]+ 270.09335142 157.7
[M]- 270.09444858 157.7
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.