CID 5318825

28513-33-9

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

17
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.