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]+ 342.133576 175.3
[M+Na]+ 364.115518 183.4
[M-H]- 340.119024 179.1
[M+NH4]+ 359.160123 189.7
[M+K]+ 380.089458 180.7
[M+H-H2O]+ 324.123560 168.0
[M+HCOO]- 386.124501 184.8
[M+CH3COO]- 400.140151 185.1
[M+Na-2H]- 362.100966 179.9
[M]+ 341.12575142 178.1
[M]- 341.12684858 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

literature stripe

Patent stripe

No patent data available for this compound.