CID 4005659

329078-53-7

Structural Information

Molecular Formula
C19H22N2OS
SMILES
CCCCC1=CC=C(C=C1)NC(=O)C(=S)NCC2=CC=CC=C2
InChI
InChI=1S/C19H22N2OS/c1-2-3-7-15-10-12-17(13-11-15)21-18(22)19(23)20-14-16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14H2,1H3,(H,20,23)(H,21,22)
InChIKey
UFISJYXCCAIXMN-UHFFFAOYSA-N
Compound name
2-(benzylamino)-N-(4-butylphenyl)-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.1453 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 178.6
[M+Na]+ 349.13452 189.6
[M+NH4]+ 344.17912 186.3
[M+K]+ 365.10846 179.7
[M-H]- 325.13802 183.8
[M+Na-2H]- 347.11997 186.3
[M]+ 326.14475 182.0
[M]- 326.14585 182.0
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

patents stripe