CID 3045460

Propanediamide, n,n-bis(2-methylpropyl)-n'-(phenylthioxomethyl)-

Structural Information

Molecular Formula
C18H26N2O2S
SMILES
CC(C)CN(CC(C)C)C(=O)CC(=O)NC(=S)C1=CC=CC=C1
InChI
InChI=1S/C18H26N2O2S/c1-13(2)11-20(12-14(3)4)17(22)10-16(21)19-18(23)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3,(H,19,21,23)
InChIKey
IFYCDKPOYXACOZ-UHFFFAOYSA-N
Compound name
N-(benzenecarbonothioyl)-N',N'-bis(2-methylpropyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1715 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17878 181.8
[M+Na]+ 357.16072 188.2
[M+NH4]+ 352.20532 187.4
[M+K]+ 373.13466 182.4
[M-H]- 333.16422 182.8
[M+Na-2H]- 355.14617 184.5
[M]+ 334.17095 183.0
[M]- 334.17205 183.0
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

No patent data available for this compound.