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]+ 348.134256 176.2
[M+Na]+ 370.116198 179.9
[M-H]- 346.119704 182.2
[M+NH4]+ 365.160803 187.7
[M+K]+ 386.090138 170.8
[M+H-H2O]+ 330.124240 170.3
[M+HCOO]- 392.125181 194.8
[M+CH3COO]- 406.140831 210.2
[M+Na-2H]- 368.101646 184.3
[M]+ 347.12643142 171.5
[M]- 347.12752858 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.