CID 90425

Brn 0988769

Structural Information

Molecular Formula
C6H6N4O3S
SMILES
C1COC(=N1)NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C6H6N4O3S/c11-10(12)4-3-8-6(14-4)9-5-7-1-2-13-5/h3H,1-2H2,(H,7,8,9)
InChIKey
LRWUWMMASHCEEG-UHFFFAOYSA-N
Compound name
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

214.01607 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.023346 139.7
[M+Na]+ 237.005288 147.3
[M-H]- 213.008794 145.7
[M+NH4]+ 232.049893 157.1
[M+K]+ 252.979228 142.8
[M+H-H2O]+ 197.013330 137.2
[M+HCOO]- 259.014271 160.7
[M+CH3COO]- 273.029921 176.6
[M+Na-2H]- 234.990736 145.5
[M]+ 214.01552142 139.0
[M]- 214.01661858 139.0
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.