CID 3038152

Brn 1130930

Structural Information

Molecular Formula
C7H9N5O2S
SMILES
CN1CCN=C1NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C7H9N5O2S/c1-11-3-2-8-6(11)10-7-9-4-5(15-7)12(13)14/h4H,2-3H2,1H3,(H,8,9,10)
InChIKey
JTRRMFTWVJSBAA-UHFFFAOYSA-N
Compound name
N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

227.0477 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05498 144.6
[M+Na]+ 250.03692 152.8
[M-H]- 226.04042 149.0
[M+NH4]+ 245.08152 161.9
[M+K]+ 266.01086 146.7
[M+H-H2O]+ 210.04496 141.3
[M+HCOO]- 272.04590 164.6
[M+CH3COO]- 286.06155 181.4
[M+Na-2H]- 248.02237 148.6
[M]+ 227.04715 143.3
[M]- 227.04825 143.3
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

patents stripe