CID 21239896

324053-82-9

Structural Information

Molecular Formula
C20H17N3O3
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H17N3O3/c24-20(21-13-6-5-7-14(12-13)23(25)26)19-15-8-1-3-10-17(15)22-18-11-4-2-9-16(18)19/h1,3,5-8,10,12H,2,4,9,11H2,(H,21,24)
InChIKey
VYSHHRMIIZCIKC-UHFFFAOYSA-N
Compound name
N-(3-nitrophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.12698 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13426 176.2
[M+Na]+ 370.11620 179.9
[M-H]- 346.11970 182.2
[M+NH4]+ 365.16080 187.7
[M+K]+ 386.09014 170.8
[M+H-H2O]+ 330.12424 170.3
[M+HCOO]- 392.12518 194.8
[M+CH3COO]- 406.14083 210.2
[M+Na-2H]- 368.10165 184.3
[M]+ 347.12643 171.5
[M]- 347.12753 171.5
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.