CID 10653

Beta-norcoralydine

Structural Information

Molecular Formula
C21H25NO4
SMILES
COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC
InChI
InChI=1S/C21H25NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h8-11,17H,5-7,12H2,1-4H3
InChIKey
YOAUKNYXWBTMMF-UHFFFAOYSA-N
Compound name
2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

49
Patents

355.17834 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18562 184.9
[M+Na]+ 378.16756 192.5
[M-H]- 354.17106 189.2
[M+NH4]+ 373.21216 199.7
[M+K]+ 394.14150 188.8
[M+H-H2O]+ 338.17560 175.2
[M+HCOO]- 400.17654 199.2
[M+CH3COO]- 414.19219 219.4
[M+Na-2H]- 376.15301 188.6
[M]+ 355.17779 188.9
[M]- 355.17889 188.9
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