CID 3075355

Propanediamide, n,n-bis(2-methylpropyl)-n'-((3,4-dimethoxyphenyl)thioxomethyl)-

Structural Information

Molecular Formula
C20H30N2O4S
SMILES
CC(C)CN(CC(C)C)C(=O)CC(=O)NC(=S)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C20H30N2O4S/c1-13(2)11-22(12-14(3)4)19(24)10-18(23)21-20(27)15-7-8-16(25-5)17(9-15)26-6/h7-9,13-14H,10-12H2,1-6H3,(H,21,23,27)
InChIKey
VLNILQONSNBVTQ-UHFFFAOYSA-N
Compound name
N-(3,4-dimethoxybenzenecarbothioyl)-N',N'-bis(2-methylpropyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.19263 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19991 195.7
[M+Na]+ 417.18185 201.4
[M+NH4]+ 412.22645 199.7
[M+K]+ 433.15579 196.7
[M-H]- 393.18535 195.6
[M+Na-2H]- 415.16730 196.7
[M]+ 394.19208 196.4
[M]- 394.19318 196.4
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.