CID 670569

1-(benzylcarbamothioyl)-n-(4-ethoxyphenyl)formamide

Structural Information

Molecular Formula
C17H18N2O2S
SMILES
CCOC1=CC=C(C=C1)NC(=O)C(=S)NCC2=CC=CC=C2
InChI
InChI=1S/C17H18N2O2S/c1-2-21-15-10-8-14(9-11-15)19-16(20)17(22)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,22)(H,19,20)
InChIKey
URQDJWHMJCYDLV-UHFFFAOYSA-N
Compound name
2-(benzylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1089 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11618 173.0
[M+Na]+ 337.09812 183.9
[M+NH4]+ 332.14272 180.5
[M+K]+ 353.07206 175.0
[M-H]- 313.10162 177.7
[M+Na-2H]- 335.08357 180.7
[M]+ 314.10835 176.2
[M]- 314.10945 176.2
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.