CID 10317002

7-hydroxydehydroglaucine

Structural Information

Molecular Formula
C21H23NO5
SMILES
CN1CCC2=CC(=C(C3=C2C1=C(C4=CC(=C(C=C43)OC)OC)O)OC)OC
InChI
InChI=1S/C21H23NO5/c1-22-7-6-11-8-16(26-4)21(27-5)18-12-9-14(24-2)15(25-3)10-13(12)20(23)19(22)17(11)18/h8-10,23H,6-7H2,1-5H3
InChIKey
XTYGTYHSWAJTPX-UHFFFAOYSA-N
Compound name
4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.15762 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16490 188.9
[M+Na]+ 392.14684 199.3
[M-H]- 368.15034 192.7
[M+NH4]+ 387.19144 203.3
[M+K]+ 408.12078 195.8
[M+H-H2O]+ 352.15488 179.7
[M+HCOO]- 414.15582 204.4
[M+CH3COO]- 428.17147 222.5
[M+Na-2H]- 390.13229 193.2
[M]+ 369.15707 198.1
[M]- 369.15817 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

No patent data available for this compound.