CID 50658

Usaf b-49

Structural Information

Molecular Formula
C16H19N3O3S
SMILES
CC(C)(C)CC(=O)NSC1=NC(=O)CN1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H19N3O3S/c1-16(2,3)9-12(20)18-23-15-17-13(21)10-19(15)14(22)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,18,20)
InChIKey
MUBZRGKEKHETAE-UHFFFAOYSA-N
Compound name
N-[(3-benzoyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-3,3-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11472 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12200 180.2
[M+Na]+ 356.10394 186.7
[M-H]- 332.10744 184.6
[M+NH4]+ 351.14854 193.5
[M+K]+ 372.07788 183.1
[M+H-H2O]+ 316.11198 172.4
[M+HCOO]- 378.11292 194.3
[M+CH3COO]- 392.12857 206.9
[M+Na-2H]- 354.08939 179.1
[M]+ 333.11417 182.8
[M]- 333.11527 182.8
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.