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
1
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]+ 301.11178 168.3
[M+Na]+ 323.09372 173.7
[M-H]- 299.09722 174.8
[M+NH4]+ 318.13832 182.0
[M+K]+ 339.06766 169.2
[M+H-H2O]+ 283.10176 158.9
[M+HCOO]- 345.10270 188.9
[M+CH3COO]- 359.11835 210.0
[M+Na-2H]- 321.07917 172.3
[M]+ 300.10395 169.0
[M]- 300.10505 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.