CID 3054370

71167-39-0

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]+ 292.169596 169.5
[M+Na]+ 314.151538 175.8
[M-H]- 290.155044 175.4
[M+NH4]+ 309.196143 185.2
[M+K]+ 330.125478 169.6
[M+H-H2O]+ 274.159580 159.7
[M+HCOO]- 336.160521 184.3
[M+CH3COO]- 350.176171 179.5
[M+Na-2H]- 312.136986 173.2
[M]+ 291.16177142 164.6
[M]- 291.16286858 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.