CID 9554751

Nsc667895

Structural Information

Molecular Formula
C14H14N4S
SMILES
CC1=NC(=CC=C1)/C=N/NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C14H14N4S/c1-11-6-5-9-13(16-11)10-15-18-14(19)17-12-7-3-2-4-8-12/h2-10H,1H3,(H2,17,18,19)/b15-10+
InChIKey
NNYFHMVRHSJYIQ-XNTDXEJSSA-N
Compound name
1-[(E)-(6-methyl-2-pyridinyl)methylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0939 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.101176 160.0
[M+Na]+ 293.083118 166.4
[M-H]- 269.086624 166.6
[M+NH4]+ 288.127723 175.1
[M+K]+ 309.057058 161.0
[M+H-H2O]+ 253.091160 150.9
[M+HCOO]- 315.092101 181.7
[M+CH3COO]- 329.107751 204.0
[M+Na-2H]- 291.068566 165.4
[M]+ 270.09335142 159.6
[M]- 270.09444858 159.6
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

No patent data available for this compound.