CID 3054370

Brn 1488000

Structural Information

Molecular Formula
C20H21NO
SMILES
CN1C2=CC=CC=C2C(C3=CC=CC=C31)C4CCCCC4=O
InChI
InChI=1S/C20H21NO/c1-21-17-11-5-2-8-14(17)20(15-9-3-6-12-18(15)21)16-10-4-7-13-19(16)22/h2-3,5-6,8-9,11-12,16,20H,4,7,10,13H2,1H3
InChIKey
YYLKUZRZKIMQIW-UHFFFAOYSA-N
Compound name
2-(10-methyl-9H-acridin-9-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16232 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 169.5
[M+Na]+ 314.15154 175.8
[M-H]- 290.15504 175.4
[M+NH4]+ 309.19614 185.2
[M+K]+ 330.12548 169.6
[M+H-H2O]+ 274.15958 159.7
[M+HCOO]- 336.16052 184.3
[M+CH3COO]- 350.17617 179.5
[M+Na-2H]- 312.13699 173.2
[M]+ 291.16177 164.6
[M]- 291.16287 164.6
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.