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]+ 215.02335 139.7
[M+Na]+ 237.00529 147.3
[M-H]- 213.00879 145.7
[M+NH4]+ 232.04989 157.1
[M+K]+ 252.97923 142.8
[M+H-H2O]+ 197.01333 137.2
[M+HCOO]- 259.01427 160.7
[M+CH3COO]- 273.02992 176.6
[M+Na-2H]- 234.99074 145.5
[M]+ 214.01552 139.0
[M]- 214.01662 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.