CID 100358

72766-31-5

Structural Information

Molecular Formula
C11H11N5O5
SMILES
C1COCCN1C2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-]
InChI
InChI=1S/C11H11N5O5/c17-15(18)8-5-7-9(13-6-12-7)11(16(19)20)10(8)14-1-3-21-4-2-14/h5-6H,1-4H2,(H,12,13)
InChIKey
UMAUSWQKGROCQW-UHFFFAOYSA-N
Compound name
4-(4,6-dinitro-1H-benzimidazol-5-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.07602 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.083296 160.1
[M+Na]+ 316.065238 164.7
[M-H]- 292.068744 163.5
[M+NH4]+ 311.109843 169.4
[M+K]+ 332.039178 154.1
[M+H-H2O]+ 276.073280 159.6
[M+HCOO]- 338.074221 178.0
[M+CH3COO]- 352.089871 187.0
[M+Na-2H]- 314.050686 170.5
[M]+ 293.07547142 154.2
[M]- 293.07656858 154.2
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.