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

1494
Patents

327.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.154336 177.4
[M+Na]+ 350.136278 186.0
[M-H]- 326.139784 179.2
[M+NH4]+ 345.180883 192.7
[M+K]+ 366.110218 181.4
[M+H-H2O]+ 310.144320 169.3
[M+HCOO]- 372.145261 189.4
[M+CH3COO]- 386.160911 187.1
[M+Na-2H]- 348.121726 181.2
[M]+ 327.14651142 179.7
[M]- 327.14760858 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

literature stripe

Patent stripe

patents stripe