CID 342695

Vr1jph5fa6

Structural Information

Molecular Formula
C9H9N7O3S
SMILES
CN1C(=CN=C1N2CCN(C2=O)C3=NN=CS3)[N+](=O)[O-]
InChI
InChI=1S/C9H9N7O3S/c1-13-6(16(18)19)4-10-7(13)14-2-3-15(9(14)17)8-12-11-5-20-8/h4-5H,2-3H2,1H3
InChIKey
WWRHIPHGZXBHDQ-UHFFFAOYSA-N
Compound name
1-(1-methyl-5-nitroimidazol-2-yl)-3-(1,3,4-thiadiazol-2-yl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

295.04877 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.05605 162.2
[M+Na]+ 318.03799 172.9
[M-H]- 294.04149 167.9
[M+NH4]+ 313.08259 174.8
[M+K]+ 334.01193 166.4
[M+H-H2O]+ 278.04603 157.9
[M+HCOO]- 340.04697 179.3
[M+CH3COO]- 354.06262 192.4
[M+Na-2H]- 316.02344 162.6
[M]+ 295.04822 163.3
[M]- 295.04932 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.