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 184.6
[M+Na]+ 379.13116 188.4
[M-H]- 355.13466 195.6
[M+NH4]+ 374.17576 198.0
[M+K]+ 395.10510 186.2
[M+H-H2O]+ 339.13920 173.6
[M+HCOO]- 401.14014 211.2
[M+CH3COO]- 415.15579 236.1
[M+Na-2H]- 377.11661 187.5
[M]+ 356.14139 186.7
[M]- 356.14249 186.7
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.