CID 2327315

N-(4-chlorophenyl)-1,2,3,4-tetrahydro-9-acridinecarboxamide

Structural Information

Molecular Formula
C20H17ClN2O
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H17ClN2O/c21-13-9-11-14(12-10-13)22-20(24)19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,22,24)
InChIKey
AGVBWHZLRRKQQX-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.10294 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.110216 176.6
[M+Na]+ 359.092158 183.9
[M-H]- 335.095664 182.7
[M+NH4]+ 354.136763 191.0
[M+K]+ 375.066098 176.4
[M+H-H2O]+ 319.100200 167.4
[M+HCOO]- 381.101141 189.9
[M+CH3COO]- 395.116791 186.4
[M+Na-2H]- 357.077606 182.3
[M]+ 336.10239142 175.6
[M]- 336.10348858 175.6
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.