CID 384465

Nsc674267

Structural Information

Molecular Formula
C17H11N3O3
SMILES
C1=CC=C2C(=C1)N=C3N2C=C(C=C3O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H11N3O3/c21-16-9-12(11-5-7-13(8-6-11)20(22)23)10-19-15-4-2-1-3-14(15)18-17(16)19/h1-10,21H
InChIKey
PYXDRZFBVIZYFW-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)pyrido[1,2-a]benzimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.08005 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08733 166.0
[M+Na]+ 328.06927 175.4
[M-H]- 304.07277 172.0
[M+NH4]+ 323.11387 180.3
[M+K]+ 344.04321 165.4
[M+H-H2O]+ 288.07731 161.4
[M+HCOO]- 350.07825 187.8
[M+CH3COO]- 364.09390 197.3
[M+Na-2H]- 326.05472 175.3
[M]+ 305.07950 166.4
[M]- 305.08060 166.4
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.