CID 3696636

2-tert-butyl-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1h-acridine-9-carboxylic acid

Structural Information

Molecular Formula
C25H24ClNO2
SMILES
CC(C)(C)C1CC(=CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O
InChI
InChI=1S/C25H24ClNO2/c1-25(2,3)17-13-16(12-15-8-10-18(26)11-9-15)23-20(14-17)22(24(28)29)19-6-4-5-7-21(19)27-23/h4-12,17H,13-14H2,1-3H3,(H,28,29)
InChIKey
UGFOTXAVNSQNBM-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.14957 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15685 199.9
[M+Na]+ 428.13879 207.6
[M-H]- 404.14229 204.9
[M+NH4]+ 423.18339 211.6
[M+K]+ 444.11273 199.3
[M+H-H2O]+ 388.14683 191.1
[M+HCOO]- 450.14777 207.5
[M+CH3COO]- 464.16342 208.0
[M+Na-2H]- 426.12424 201.4
[M]+ 405.14902 200.3
[M]- 405.15012 200.3
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.