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 197.7
[M+Na]+ 417.18185 199.4
[M-H]- 393.18535 201.3
[M+NH4]+ 412.22645 209.1
[M+K]+ 433.15579 198.4
[M+H-H2O]+ 377.18989 189.3
[M+HCOO]- 439.19083 211.8
[M+CH3COO]- 453.20648 231.5
[M+Na-2H]- 415.16730 191.1
[M]+ 394.19208 204.4
[M]- 394.19318 204.4
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.