CID 11971492

Brn 5615615

Structural Information

Molecular Formula
C15H14N4O3
SMILES
COC1=CC=CC=C1NCN2C=NC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H14N4O3/c1-22-15-5-3-2-4-13(15)17-10-18-9-16-12-7-6-11(19(20)21)8-14(12)18/h2-9,17H,10H2,1H3
InChIKey
FOIWQLFPDFXGOC-UHFFFAOYSA-N
Compound name
2-methoxy-N-[(6-nitrobenzimidazol-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1066 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11388 164.2
[M+Na]+ 321.09582 179.0
[M+NH4]+ 316.14042 171.7
[M+K]+ 337.06976 176.3
[M-H]- 297.09932 169.4
[M+Na-2H]- 319.08127 172.5
[M]+ 298.10605 167.6
[M]- 298.10715 167.6
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.