CID 500499

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

Structural Information

Molecular Formula
C23H25NO3
SMILES
CCCCCC1=C2C(=C3C(=C1O)C(=O)C4=CC=CC=C4N3)C=CC(O2)(C)C
InChI
InChI=1S/C23H25NO3/c1-4-5-6-10-16-21(26)18-19(15-12-13-23(2,3)27-22(15)16)24-17-11-8-7-9-14(17)20(18)25/h7-9,11-13,26H,4-6,10H2,1-3H3,(H,24,25)
InChIKey
BZIBXHDPPGOADO-UHFFFAOYSA-N
Compound name
6-hydroxy-3,3-dimethyl-5-pentyl-12H-pyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.18344 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19072 189.7
[M+Na]+ 386.17266 200.7
[M-H]- 362.17616 193.4
[M+NH4]+ 381.21726 204.1
[M+K]+ 402.14660 194.4
[M+H-H2O]+ 346.18070 180.5
[M+HCOO]- 408.18164 203.8
[M+CH3COO]- 422.19729 199.7
[M+Na-2H]- 384.15811 195.8
[M]+ 363.18289 194.1
[M]- 363.18399 194.1
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.