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

literature stripe

Patent stripe

patents stripe