CID 3074973

N',n'-diisobutyl-n-para-methoxythiobenzoyloxalyldiamide

Structural Information

Molecular Formula
C18H26N2O3S
SMILES
CC(C)CN(CC(C)C)C(=O)C(=O)NC(=S)C1=CC=C(C=C1)OC
InChI
InChI=1S/C18H26N2O3S/c1-12(2)10-20(11-13(3)4)18(22)16(21)19-17(24)14-6-8-15(23-5)9-7-14/h6-9,12-13H,10-11H2,1-5H3,(H,19,21,24)
InChIKey
CWUMWYINYSXRNB-UHFFFAOYSA-N
Compound name
N-(4-methoxybenzenecarbothioyl)-N',N'-bis(2-methylpropyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1664 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17368 186.9
[M+Na]+ 373.15562 189.0
[M-H]- 349.15912 190.7
[M+NH4]+ 368.20022 200.1
[M+K]+ 389.12956 187.7
[M+H-H2O]+ 333.16366 178.8
[M+HCOO]- 395.16460 201.5
[M+CH3COO]- 409.18025 221.7
[M+Na-2H]- 371.14107 181.6
[M]+ 350.16585 191.0
[M]- 350.16695 191.0
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.