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]+ 272.106336 163.5
[M+Na]+ 294.088278 170.6
[M-H]- 270.091784 164.8
[M+NH4]+ 289.132883 179.5
[M+K]+ 310.062218 168.7
[M+H-H2O]+ 254.096320 157.0
[M+HCOO]- 316.097261 177.5
[M+CH3COO]- 330.112911 197.6
[M+Na-2H]- 292.073726 162.1
[M]+ 271.09851142 166.8
[M]- 271.09960858 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.