CID 3039310

Brn 0816952

Structural Information

Molecular Formula
C14H11N3O3
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C14H11N3O3/c1-15-12-8-7-11(17(19)20)9-13(12)16(14(15)18)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
IKCZDJLXCUSFLC-UHFFFAOYSA-N
Compound name
1-methyl-5-nitro-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 156.0
[M+Na]+ 292.06927 172.7
[M+NH4]+ 287.11387 163.9
[M+K]+ 308.04321 169.9
[M-H]- 268.07277 160.8
[M+Na-2H]- 290.05472 164.5
[M]+ 269.07950 159.7
[M]- 269.08060 159.7
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.