CID 4460926

108883-90-5

Structural Information

Molecular Formula
C14H11N3O4
SMILES
COC1=C(C=CC(=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C14H11N3O4/c1-21-13-6-8(2-5-12(13)18)14-15-10-4-3-9(17(19)20)7-11(10)16-14/h2-7,18H,1H3,(H,15,16)
InChIKey
LSNPOGOZVAHETR-UHFFFAOYSA-N
Compound name
2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

285.07495 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.082226 159.6
[M+Na]+ 308.064168 168.7
[M-H]- 284.067674 163.6
[M+NH4]+ 303.108773 173.4
[M+K]+ 324.038108 159.8
[M+H-H2O]+ 268.072210 156.0
[M+HCOO]- 330.073151 181.6
[M+CH3COO]- 344.088801 189.8
[M+Na-2H]- 306.049616 167.5
[M]+ 285.07440142 159.9
[M]- 285.07549858 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe