CID 478573

Gnf-pf-3777

Structural Information

Molecular Formula
C15H7N3O4
SMILES
C1=CC=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=N2
InChI
InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H
InChIKey
UFMQJYHLIUACCG-UHFFFAOYSA-N
Compound name
8-nitroindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

845
Patents

293.04367 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.05095 160.5
[M+Na]+ 316.03289 171.4
[M-H]- 292.03639 165.6
[M+NH4]+ 311.07749 177.1
[M+K]+ 332.00683 162.3
[M+H-H2O]+ 276.04093 156.8
[M+HCOO]- 338.04187 181.8
[M+CH3COO]- 352.05752 197.7
[M+Na-2H]- 314.01834 170.3
[M]+ 293.04312 162.3
[M]- 293.04422 162.3
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.