CID 101301

Corydaline

Structural Information

Molecular Formula
C22H27NO4
SMILES
C[C@@H]1[C@@H]2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC
InChI
InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1
InChIKey
VRSRXLJTYQVOHC-YEJXKQKISA-N
Compound name
(13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

44
References

608
Patents

369.194 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 189.8
[M+Na]+ 392.18322 204.7
[M+NH4]+ 387.22782 198.5
[M+K]+ 408.15716 196.1
[M-H]- 368.18672 193.5
[M+Na-2H]- 390.16867 192.9
[M]+ 369.19345 193.1
[M]- 369.19455 193.1
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