CID 278055

Koenigicine

Structural Information

Molecular Formula
C20H21NO3
SMILES
CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC(=C(C=C42)OC)OC
InChI
InChI=1S/C20H21NO3/c1-11-8-14-13-9-16(22-4)17(23-5)10-15(13)21-18(14)12-6-7-20(2,3)24-19(11)12/h6-10,21H,1-5H3
InChIKey
IUZVYLWUISSZCS-UHFFFAOYSA-N
Compound name
8,9-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

11
Patents

323.15213 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 176.7
[M+Na]+ 346.14135 189.3
[M-H]- 322.14485 182.6
[M+NH4]+ 341.18595 195.7
[M+K]+ 362.11529 184.7
[M+H-H2O]+ 306.14939 169.5
[M+HCOO]- 368.15033 194.2
[M+CH3COO]- 382.16598 189.1
[M+Na-2H]- 344.12680 182.2
[M]+ 323.15158 183.7
[M]- 323.15268 183.7
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