CID 392509

Nsc693026

Structural Information

Molecular Formula
C17H10N4O3
SMILES
CN1C2=CC=CC=C2N3C1=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N
InChI
InChI=1S/C17H10N4O3/c1-19-14-4-2-3-5-15(14)20-16(19)13(9-18)11-7-6-10(21(23)24)8-12(11)17(20)22/h2-8H,1H3
InChIKey
JAQFLNOFBUJPLG-UHFFFAOYSA-N
Compound name
5-methyl-9-nitro-11-oxobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0753 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08258 174.2
[M+Na]+ 341.06452 191.0
[M+NH4]+ 336.10912 178.9
[M+K]+ 357.03846 183.5
[M-H]- 317.06802 170.8
[M+Na-2H]- 339.04997 177.3
[M]+ 318.07475 174.9
[M]- 318.07585 174.9
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.