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-methylpyridin-2-yl)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]+ 271.10118 160.0
[M+Na]+ 293.08312 166.4
[M-H]- 269.08662 166.6
[M+NH4]+ 288.12772 175.1
[M+K]+ 309.05706 161.0
[M+H-H2O]+ 253.09116 150.9
[M+HCOO]- 315.09210 181.7
[M+CH3COO]- 329.10775 204.0
[M+Na-2H]- 291.06857 165.4
[M]+ 270.09335 159.6
[M]- 270.09445 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.