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]+ 277.12953 159.1
[M+Na]+ 299.11147 172.1
[M+NH4]+ 294.15607 165.9
[M+K]+ 315.08541 170.8
[M-H]- 275.11497 163.3
[M+Na-2H]- 297.09692 164.2
[M]+ 276.12170 161.8
[M]- 276.12280 161.8
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.