CID 197001

Nantenine

Structural Information

Molecular Formula
C20H21NO4
SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC5=C(C=C43)OCO5)OC)OC
InChI
InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
InChIKey
WSVWKHTVFGTTKJ-AWEZNQCLSA-N
Compound name
(12S)-18,19-dimethoxy-13-methyl-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
2
Annotation Hits

31
References

120
Patents

339.14706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 177.9
[M+Na]+ 362.13628 186.6
[M-H]- 338.13978 184.1
[M+NH4]+ 357.18088 193.8
[M+K]+ 378.11022 184.4
[M+H-H2O]+ 322.14432 169.7
[M+HCOO]- 384.14526 189.8
[M+CH3COO]- 398.16091 188.6
[M+Na-2H]- 360.12173 182.1
[M]+ 339.14651 182.7
[M]- 339.14761 182.7
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