CID 91155

24240-83-3

Structural Information

Molecular Formula
C7H8N4O3S
SMILES
CC1CN=C(O1)NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C7H8N4O3S/c1-4-2-8-6(14-4)10-7-9-3-5(15-7)11(12)13/h3-4H,2H2,1H3,(H,8,9,10)
InChIKey
DXCNTKBIYKHJAJ-UHFFFAOYSA-N
Compound name
5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.03171 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03899 143.7
[M+Na]+ 251.02093 153.8
[M+NH4]+ 246.06553 150.9
[M+K]+ 266.99487 154.3
[M-H]- 227.02443 147.9
[M+Na-2H]- 249.00638 148.0
[M]+ 228.03116 146.3
[M]- 228.03226 146.3
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.