CID 26212854

Ns00097135

Structural Information

Molecular Formula
C19H21NO4
SMILES
COC1=C(C2=C3[C@H](CC4=C2C(=C(C=C4)O)OC)NCCC3=C1)OC
InChI
InChI=1S/C19H21NO4/c1-22-14-9-11-6-7-20-12-8-10-4-5-13(21)18(23-2)16(10)17(15(11)12)19(14)24-3/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m0/s1
InChIKey
MULATNABYLUECQ-LBPRGKRZSA-N
Compound name
(6aS)-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14706 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.154336 176.6
[M+Na]+ 350.136278 184.3
[M-H]- 326.139784 178.0
[M+NH4]+ 345.180883 191.6
[M+K]+ 366.110218 179.6
[M+H-H2O]+ 310.144320 168.3
[M+HCOO]- 372.145261 188.7
[M+CH3COO]- 386.160911 186.0
[M+Na-2H]- 348.121726 181.2
[M]+ 327.14651142 178.5
[M]- 327.14760858 178.5
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

No patent data available for this compound.