CID 500502

6,11-dihydroxy-3,3,12-trimethyl-5-pentyl-pyrano[2,3-c]acridin-7-one

Structural Information

Molecular Formula
C24H27NO4
SMILES
CCCCCC1=C2C(=C3C(=C1O)C(=O)C4=C(N3C)C(=CC=C4)O)C=CC(O2)(C)C
InChI
InChI=1S/C24H27NO4/c1-5-6-7-9-16-22(28)18-20(15-12-13-24(2,3)29-23(15)16)25(4)19-14(21(18)27)10-8-11-17(19)26/h8,10-13,26,28H,5-7,9H2,1-4H3
InChIKey
JZZVNSHULMKCPG-UHFFFAOYSA-N
Compound name
6,11-dihydroxy-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

393.194 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 198.0
[M+Na]+ 416.18322 209.9
[M-H]- 392.18672 202.1
[M+NH4]+ 411.22782 211.5
[M+K]+ 432.15716 204.5
[M+H-H2O]+ 376.19126 188.8
[M+HCOO]- 438.19220 211.6
[M+CH3COO]- 452.20785 207.9
[M+Na-2H]- 414.16867 202.3
[M]+ 393.19345 205.0
[M]- 393.19455 205.0
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.