CID 453206

Dihydroacronycine

Structural Information

Molecular Formula
C20H21NO3
SMILES
CC1(CCC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C
InChI
InChI=1S/C20H21NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-8,11H,9-10H2,1-4H3
InChIKey
KUCGZVVCEUHLAY-UHFFFAOYSA-N
Compound name
6-methoxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.15213 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 175.7
[M+Na]+ 346.14135 187.9
[M-H]- 322.14485 182.3
[M+NH4]+ 341.18595 193.1
[M+K]+ 362.11529 183.9
[M+H-H2O]+ 306.14939 166.3
[M+HCOO]- 368.15033 192.4
[M+CH3COO]- 382.16598 187.8
[M+Na-2H]- 344.12680 183.3
[M]+ 323.15158 181.2
[M]- 323.15268 181.2
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.