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 177.8
[M+Na]+ 370.11620 192.7
[M+NH4]+ 365.16080 186.2
[M+K]+ 386.09014 186.9
[M-H]- 346.11970 184.7
[M+Na-2H]- 368.10165 185.5
[M]+ 347.12643 181.7
[M]- 347.12753 181.7
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.