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]+ 337.11022 176.6
[M+Na]+ 359.09216 183.9
[M-H]- 335.09566 182.7
[M+NH4]+ 354.13676 191.0
[M+K]+ 375.06610 176.4
[M+H-H2O]+ 319.10020 167.4
[M+HCOO]- 381.10114 189.9
[M+CH3COO]- 395.11679 186.4
[M+Na-2H]- 357.07761 182.3
[M]+ 336.10239 175.6
[M]- 336.10349 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.