CID 3084228

Nornantenine

Structural Information

Molecular Formula
C19H19NO4
SMILES
COC1=C(C2=C3C(CC4=CC5=C(C=C42)OCO5)NCCC3=C1)OC
InChI
InChI=1S/C19H19NO4/c1-21-16-6-10-3-4-20-13-5-11-7-14-15(24-9-23-14)8-12(11)18(17(10)13)19(16)22-2/h6-8,13,20H,3-5,9H2,1-2H3
InChIKey
JWXKBCGJLCEZTJ-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-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

325.1314 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 171.7
[M+Na]+ 348.12062 179.6
[M-H]- 324.12412 176.4
[M+NH4]+ 343.16522 187.2
[M+K]+ 364.09456 176.8
[M+H-H2O]+ 308.12866 163.9
[M+HCOO]- 370.12960 182.6
[M+CH3COO]- 384.14525 182.0
[M+Na-2H]- 346.10607 176.9
[M]+ 325.13085 174.2
[M]- 325.13195 174.2
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