CID 91155

Dtxsid80947060

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 144.8
[M+Na]+ 251.02093 152.8
[M-H]- 227.02443 150.9
[M+NH4]+ 246.06553 161.9
[M+K]+ 266.99487 148.0
[M+H-H2O]+ 211.02897 142.4
[M+HCOO]- 273.02991 165.4
[M+CH3COO]- 287.04556 180.7
[M+Na-2H]- 249.00638 149.5
[M]+ 228.03116 144.8
[M]- 228.03226 144.8
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.