CID 51740

73105-06-3

Structural Information

Molecular Formula
C11H17N3O3S
SMILES
CC(=O)NCC(C)(C)SC1=NC(=O)CN1C(=O)C
InChI
InChI=1S/C11H17N3O3S/c1-7(15)12-6-11(3,4)18-10-13-9(17)5-14(10)8(2)16/h5-6H2,1-4H3,(H,12,15)
InChIKey
KBUGESRDSYWKAV-UHFFFAOYSA-N
Compound name
N-[2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-2-methylpropyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09906 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10634 163.5
[M+Na]+ 294.08828 170.6
[M-H]- 270.09178 164.8
[M+NH4]+ 289.13288 179.5
[M+K]+ 310.06222 168.7
[M+H-H2O]+ 254.09632 157.0
[M+HCOO]- 316.09726 177.5
[M+CH3COO]- 330.11291 197.6
[M+Na-2H]- 292.07373 162.1
[M]+ 271.09851 166.8
[M]- 271.09961 166.8
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.