CID 5318827

Koenine

Structural Information

Molecular Formula
C18H17NO2
SMILES
CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=C2C=C(C=C4)O
InChI
InChI=1S/C18H17NO2/c1-10-8-14-13-9-11(20)4-5-15(13)19-16(14)12-6-7-18(2,3)21-17(10)12/h4-9,19-20H,1-3H3
InChIKey
VISKLVOLGCYFCW-UHFFFAOYSA-N
Compound name
3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

279.12592 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.133196 164.3
[M+Na]+ 302.115138 176.8
[M-H]- 278.118644 168.9
[M+NH4]+ 297.159743 184.2
[M+K]+ 318.089078 171.0
[M+H-H2O]+ 262.123180 157.8
[M+HCOO]- 324.124121 181.0
[M+CH3COO]- 338.139771 176.8
[M+Na-2H]- 300.100586 171.0
[M]+ 279.12537142 167.1
[M]- 279.12646858 167.1
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

patents stripe