CID 204608

Benzimidazole, 2-(2-morpholinoethyl)-5-nitro-

Structural Information

Molecular Formula
C13H16N4O3
SMILES
C1COCCN1CCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H16N4O3/c18-17(19)10-1-2-11-12(9-10)15-13(14-11)3-4-16-5-7-20-8-6-16/h1-2,9H,3-8H2,(H,14,15)
InChIKey
LQUNJTQVGSEEBJ-UHFFFAOYSA-N
Compound name
4-[2-(6-nitro-1H-benzimidazol-2-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12225 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.129526 159.7
[M+Na]+ 299.111468 165.3
[M-H]- 275.114974 162.4
[M+NH4]+ 294.156073 171.1
[M+K]+ 315.085408 157.9
[M+H-H2O]+ 259.119510 154.7
[M+HCOO]- 321.120451 176.8
[M+CH3COO]- 335.136101 189.0
[M+Na-2H]- 297.096916 167.3
[M]+ 276.12170142 156.0
[M]- 276.12279858 156.0
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.