CID 267400

Laurotetanine

Structural Information

Molecular Formula
C19H21NO4
SMILES
COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC
InChI
InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3
InChIKey
GVVXPMORGFYVOO-UHFFFAOYSA-N
Compound name
1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

29
Patents

327.14706 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 176.3
[M+Na]+ 350.13628 190.4
[M+NH4]+ 345.18088 184.8
[M+K]+ 366.11022 182.9
[M-H]- 326.13978 178.6
[M+Na-2H]- 348.12173 178.8
[M]+ 327.14651 179.0
[M]- 327.14761 179.0
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