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 159.7
[M+Na]+ 299.11147 165.3
[M-H]- 275.11497 162.4
[M+NH4]+ 294.15607 171.1
[M+K]+ 315.08541 157.9
[M+H-H2O]+ 259.11951 154.7
[M+HCOO]- 321.12045 176.8
[M+CH3COO]- 335.13610 189.0
[M+Na-2H]- 297.09692 167.3
[M]+ 276.12170 156.0
[M]- 276.12280 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.