CID 9589002

Brn 4269862

Structural Information

Molecular Formula
C17H20N6OS
SMILES
CN(C)C1=CC=C(C=C1)/C(=N/NC2=CC=C(C=C2)OC)/N=NC(=S)N
InChI
InChI=1S/C17H20N6OS/c1-23(2)14-8-4-12(5-9-14)16(21-22-17(18)25)20-19-13-6-10-15(24-3)11-7-13/h4-11,19H,1-3H3,(H2,18,25)/b20-16-,22-21?
InChIKey
DFUBEQNNLXYLOC-WDLJAULOSA-N
Compound name
[(Z)-C-[4-(dimethylamino)phenyl]-N-(4-methoxyanilino)carbonimidoyl]iminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14194 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14922 184.2
[M+Na]+ 379.13116 192.1
[M+NH4]+ 374.17576 190.8
[M+K]+ 395.10510 184.4
[M-H]- 355.13466 191.5
[M+Na-2H]- 377.11661 192.4
[M]+ 356.14139 187.4
[M]- 356.14249 187.4
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.