CID 85447763

4-hydroxynornantenine

Structural Information

Molecular Formula
C19H19NO5
SMILES
COC1=C(C2=C3C(CC4=CC5=C(C=C42)OCO5)NCC(C3=C1)O)OC
InChI
InChI=1S/C19H19NO5/c1-22-16-6-11-13(21)7-20-12-3-9-4-14-15(25-8-24-14)5-10(9)18(17(11)12)19(16)23-2/h4-6,12-13,20-21H,3,7-8H2,1-2H3
InChIKey
FQGXOUZHUXOCIV-UHFFFAOYSA-N
Compound name
18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-15-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1263 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 175.3
[M+Na]+ 364.11552 183.4
[M-H]- 340.11902 179.1
[M+NH4]+ 359.16012 189.7
[M+K]+ 380.08946 180.7
[M+H-H2O]+ 324.12356 168.0
[M+HCOO]- 386.12450 184.8
[M+CH3COO]- 400.14015 185.1
[M+Na-2H]- 362.10097 179.9
[M]+ 341.12575 178.1
[M]- 341.12685 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.