CID 216481

Brn 1122278

Structural Information

Molecular Formula
C7H9N5O2S
SMILES
CC1CN=C(N1)N(C2=NC=CS2)[N+](=O)[O-]
InChI
InChI=1S/C7H9N5O2S/c1-5-4-9-6(10-5)11(12(13)14)7-8-2-3-15-7/h2-3,5H,4H2,1H3,(H,9,10)
InChIKey
CSDXTDWARBDEEE-UHFFFAOYSA-N
Compound name
N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-N-(1,3-thiazol-2-yl)nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0477 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05498 144.4
[M+Na]+ 250.03692 151.4
[M-H]- 226.04042 148.5
[M+NH4]+ 245.08152 161.3
[M+K]+ 266.01086 145.9
[M+H-H2O]+ 210.04496 140.8
[M+HCOO]- 272.04590 163.5
[M+CH3COO]- 286.06155 181.0
[M+Na-2H]- 248.02237 148.1
[M]+ 227.04715 142.1
[M]- 227.04825 142.1
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.