CID 10154

Boldine

Structural Information

Molecular Formula
C19H21NO4
SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O
InChI
InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
InChIKey
LZJRNLRASBVRRX-ZDUSSCGKSA-N
Compound name
(6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

187
References

1484
Patents

327.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 177.4
[M+Na]+ 350.13628 186.0
[M-H]- 326.13978 179.2
[M+NH4]+ 345.18088 192.7
[M+K]+ 366.11022 181.4
[M+H-H2O]+ 310.14432 169.3
[M+HCOO]- 372.14526 189.4
[M+CH3COO]- 386.16091 187.1
[M+Na-2H]- 348.12173 181.2
[M]+ 327.14651 179.7
[M]- 327.14761 179.7
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.