CID 26592

Acridine, 9-amino-3-nitro-

Structural Information

Molecular Formula
C13H9N3O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])N
InChI
InChI=1S/C13H9N3O2/c14-13-9-3-1-2-4-11(9)15-12-7-8(16(17)18)5-6-10(12)13/h1-7H,(H2,14,15)
InChIKey
RFGXJQLQGRJKMD-UHFFFAOYSA-N
Compound name
3-nitroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

239.06947 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.076746 146.3
[M+Na]+ 262.058688 155.7
[M-H]- 238.062194 150.8
[M+NH4]+ 257.103293 163.4
[M+K]+ 278.032628 147.0
[M+H-H2O]+ 222.066730 143.0
[M+HCOO]- 284.067671 170.6
[M+CH3COO]- 298.083321 190.0
[M+Na-2H]- 260.044136 158.4
[M]+ 239.06892142 145.4
[M]- 239.07001858 145.4
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