CID 392520

2,8-dinitropyrido[1,2-a]benzimidazole

Structural Information

Molecular Formula
C11H6N4O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N3C=C(C=CC3=N2)[N+](=O)[O-]
InChI
InChI=1S/C11H6N4O4/c16-14(17)7-1-3-9-10(5-7)13-6-8(15(18)19)2-4-11(13)12-9/h1-6H
InChIKey
YZTPFAASBUIUKE-UHFFFAOYSA-N
Compound name
2,8-dinitropyrido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0389 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04618 151.2
[M+Na]+ 281.02812 159.4
[M-H]- 257.03162 155.3
[M+NH4]+ 276.07272 166.8
[M+K]+ 297.00206 148.2
[M+H-H2O]+ 241.03616 152.2
[M+HCOO]- 303.03710 175.2
[M+CH3COO]- 317.05275 185.3
[M+Na-2H]- 279.01357 164.0
[M]+ 258.03835 150.3
[M]- 258.03945 150.3
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.