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

1
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

patents stripe