CID 53323

N-(2-nitrophenyl)acridin-9-amine

Structural Information

Molecular Formula
C19H13N3O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C19H13N3O2/c23-22(24)18-12-6-5-11-17(18)21-19-13-7-1-3-9-15(13)20-16-10-4-2-8-14(16)19/h1-12H,(H,20,21)
InChIKey
QEPQNYIXWTVWDP-UHFFFAOYSA-N
Compound name
N-(2-nitrophenyl)acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

3
Patents

315.10077 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.108046 168.0
[M+Na]+ 338.089988 175.4
[M-H]- 314.093494 175.3
[M+NH4]+ 333.134593 181.3
[M+K]+ 354.063928 165.2
[M+H-H2O]+ 298.098030 162.2
[M+HCOO]- 360.098971 191.7
[M+CH3COO]- 374.114621 205.0
[M+Na-2H]- 336.075436 180.3
[M]+ 315.10022142 167.2
[M]- 315.10131858 167.2
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