CID 601259

(-)-coreximine

Structural Information

Molecular Formula
C19H21NO4
SMILES
COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)O)O
InChI
InChI=1S/C19H21NO4/c1-23-18-7-11-3-4-20-10-13-8-19(24-2)16(21)6-12(13)5-15(20)14(11)9-17(18)22/h6-9,15,21-22H,3-5,10H2,1-2H3
InChIKey
BWUQAWCUJMATJS-UHFFFAOYSA-N
Compound name
3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

182
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 175.5
[M+Na]+ 350.13628 183.3
[M-H]- 326.13978 177.6
[M+NH4]+ 345.18088 190.2
[M+K]+ 366.11022 178.5
[M+H-H2O]+ 310.14432 167.2
[M+HCOO]- 372.14526 187.6
[M+CH3COO]- 386.16091 184.9
[M+Na-2H]- 348.12173 179.7
[M]+ 327.14651 175.6
[M]- 327.14761 175.6
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