CID 4424716

4983-91-9

Structural Information

Molecular Formula
C18H22N2O2S
SMILES
CCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCC)SC
InChI
InChI=1S/C18H22N2O2S/c1-4-21-16-10-6-14(7-11-16)19-18(23-3)20-15-8-12-17(13-9-15)22-5-2/h6-13H,4-5H2,1-3H3,(H,19,20)
InChIKey
VXIDJFZFLJWQHA-UHFFFAOYSA-N
Compound name
methyl N,N'-bis(4-ethoxyphenyl)carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1402 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14748 178.4
[M+Na]+ 353.12942 190.4
[M+NH4]+ 348.17402 186.5
[M+K]+ 369.10336 180.3
[M-H]- 329.13292 184.1
[M+Na-2H]- 351.11487 186.6
[M]+ 330.13965 182.2
[M]- 330.14075 182.2
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.