CID 5318825

Koenigine

Structural Information

Molecular Formula
C19H19NO3
SMILES
CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC(=C(C=C42)OC)O
InChI
InChI=1S/C19H19NO3/c1-10-7-13-12-8-16(22-4)15(21)9-14(12)20-17(13)11-5-6-19(2,3)23-18(10)11/h5-9,20-21H,1-4H3
InChIKey
CZZZOTXCAIDYOZ-UHFFFAOYSA-N
Compound name
8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

309.1365 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 172.3
[M+Na]+ 332.12572 185.0
[M-H]- 308.12922 177.1
[M+NH4]+ 327.17032 191.2
[M+K]+ 348.09966 179.8
[M+H-H2O]+ 292.13376 165.7
[M+HCOO]- 354.13470 188.7
[M+CH3COO]- 368.15035 184.5
[M+Na-2H]- 330.11117 178.0
[M]+ 309.13595 177.3
[M]- 309.13705 177.3
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