CID 6180769

Nsc668302

Structural Information

Molecular Formula
C15H16N4OS
SMILES
C/C(=N\NC(=S)NC1=CC=C(C=C1)OC)/C2=CC=CC=N2
InChI
InChI=1S/C15H16N4OS/c1-11(14-5-3-4-10-16-14)18-19-15(21)17-12-6-8-13(20-2)9-7-12/h3-10H,1-2H3,(H2,17,19,21)/b18-11+
InChIKey
BUKLFMWIAUNZPZ-WOJGMQOQSA-N
Compound name
1-(4-methoxyphenyl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

300.1045 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.111776 168.3
[M+Na]+ 323.093718 173.7
[M-H]- 299.097224 174.8
[M+NH4]+ 318.138323 182.0
[M+K]+ 339.067658 169.2
[M+H-H2O]+ 283.101760 158.9
[M+HCOO]- 345.102701 188.9
[M+CH3COO]- 359.118351 210.0
[M+Na-2H]- 321.079166 172.3
[M]+ 300.10395142 169.0
[M]- 300.10504858 169.0
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.