CID 100358

1h-benzimidazole, 4,6-dinitro-5-(4-morpholinyl)-

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]+ 294.08330 160.1
[M+Na]+ 316.06524 164.7
[M-H]- 292.06874 163.5
[M+NH4]+ 311.10984 169.4
[M+K]+ 332.03918 154.1
[M+H-H2O]+ 276.07328 159.6
[M+HCOO]- 338.07422 178.0
[M+CH3COO]- 352.08987 187.0
[M+Na-2H]- 314.05069 170.5
[M]+ 293.07547 154.2
[M]- 293.07657 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.