CID 3073746

N',n'-diisobutyl-n-para-methoxythiobenzoylmalonodiamide

Structural Information

Molecular Formula
C19H28N2O3S
SMILES
CC(C)CN(CC(C)C)C(=O)CC(=O)NC(=S)C1=CC=C(C=C1)OC
InChI
InChI=1S/C19H28N2O3S/c1-13(2)11-21(12-14(3)4)18(23)10-17(22)20-19(25)15-6-8-16(24-5)9-7-15/h6-9,13-14H,10-12H2,1-5H3,(H,20,22,25)
InChIKey
OQXVJEKXIYBDNH-UHFFFAOYSA-N
Compound name
N-(4-methoxybenzenecarbothioyl)-N',N'-bis(2-methylpropyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.18207 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18935 191.1
[M+Na]+ 387.17129 192.7
[M-H]- 363.17479 194.7
[M+NH4]+ 382.21589 203.7
[M+K]+ 403.14523 191.2
[M+H-H2O]+ 347.17933 182.8
[M+HCOO]- 409.18027 205.4
[M+CH3COO]- 423.19592 225.3
[M+Na-2H]- 385.15674 185.4
[M]+ 364.18152 195.7
[M]- 364.18262 195.7
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.