CID 12313583

Norpluviine

Structural Information

Molecular Formula
C16H19NO3
SMILES
COC1=C(C=C2CN3CCC4=CC[C@H]([C@H]([C@@H]43)C2=C1)O)O
InChI
InChI=1S/C16H19NO3/c1-20-14-7-11-10(6-13(14)19)8-17-5-4-9-2-3-12(18)15(11)16(9)17/h2,6-7,12,15-16,18-19H,3-5,8H2,1H3/t12-,15-,16-/m1/s1
InChIKey
KYCRETLRESMMIM-DAXOMENPSA-N
Compound name
(1S,15R,16S)-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-5,15-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

2
Patents

273.1365 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 161.4
[M+Na]+ 296.12572 173.3
[M+NH4]+ 291.17032 170.7
[M+K]+ 312.09966 168.5
[M-H]- 272.12922 163.0
[M+Na-2H]- 294.11117 162.5
[M]+ 273.13595 163.4
[M]- 273.13705 163.4
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