CID 500501

6-hydroxy-3,3,12-trimethyl-5-pentyl-pyrano[2,3-c]acridin-7-one

Structural Information

Molecular Formula
C24H27NO3
SMILES
CCCCCC1=C2C(=C3C(=C1O)C(=O)C4=CC=CC=C4N3C)C=CC(O2)(C)C
InChI
InChI=1S/C24H27NO3/c1-5-6-7-11-17-22(27)19-20(16-13-14-24(2,3)28-23(16)17)25(4)18-12-9-8-10-15(18)21(19)26/h8-10,12-14,27H,5-7,11H2,1-4H3
InChIKey
QQKMXVGOFIPGLS-UHFFFAOYSA-N
Compound name
6-hydroxy-3,3,12-trimethyl-5-pentylpyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.1991 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20638 194.4
[M+Na]+ 400.18832 206.1
[M-H]- 376.19182 199.5
[M+NH4]+ 395.23292 209.1
[M+K]+ 416.16226 200.5
[M+H-H2O]+ 360.19636 184.7
[M+HCOO]- 422.19730 209.4
[M+CH3COO]- 436.21295 204.8
[M+Na-2H]- 398.17377 199.5
[M]+ 377.19855 201.1
[M]- 377.19965 201.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.