CID 34781

Dehydrocorydaline

Structural Information

Molecular Formula
C22H24NO4
SMILES
CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC
InChI
InChI=1S/C22H24NO4/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/h6-7,10-12H,8-9H2,1-5H3/q+1
InChIKey
RFKQJTRWODZPHF-UHFFFAOYSA-N
Compound name
2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

47
References

179
Patents

366.17053 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17781 191.9
[M+Na]+ 389.15975 201.4
[M-H]- 365.16325 197.5
[M+NH4]+ 384.20435 206.3
[M+K]+ 405.13369 191.9
[M+H-H2O]+ 349.16779 184.6
[M+HCOO]- 411.16873 208.1
[M+CH3COO]- 425.18438 216.1
[M+Na-2H]- 387.14520 198.5
[M]+ 366.16998 198.1
[M]- 366.17108 198.1
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