CID 14539911

(+)-norisoboldine

Structural Information

Molecular Formula
C18H19NO4
SMILES
COC1=C(C2=C3[C@H](CC4=CC(=C(C=C42)OC)O)NCCC3=C1)O
InChI
InChI=1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1
InChIKey
HORZNQYQXBFWNZ-LBPRGKRZSA-N
Compound name
(6aS)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

36
References

169
Patents

313.1314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 172.1
[M+Na]+ 336.12062 179.9
[M-H]- 312.12412 172.3
[M+NH4]+ 331.16522 187.0
[M+K]+ 352.09456 174.6
[M+H-H2O]+ 296.12866 164.4
[M+HCOO]- 358.12960 183.1
[M+CH3COO]- 372.14525 181.3
[M+Na-2H]- 334.10607 176.9
[M]+ 313.13085 172.0
[M]- 313.13195 172.0
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