CID 101289753

Pluviine

Structural Information

Molecular Formula
C17H21NO3
SMILES
COC1=C(C=C2[C@@H]3[C@@H](CC=C4[C@H]3N(CC4)CC2=C1)O)OC
InChI
InChI=1S/C17H21NO3/c1-20-14-7-11-9-18-6-5-10-3-4-13(19)16(17(10)18)12(11)8-15(14)21-2/h3,7-8,13,16-17,19H,4-6,9H2,1-2H3/t13-,16-,17-/m1/s1
InChIKey
PPXDSINXGXMGAE-KBRIMQKVSA-N
Compound name
(1S,15R,16S)-4,5-dimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

287.15213 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 166.4
[M+Na]+ 310.141348 173.8
[M-H]- 286.144854 168.9
[M+NH4]+ 305.185953 185.6
[M+K]+ 326.115288 169.5
[M+H-H2O]+ 270.149390 159.4
[M+HCOO]- 332.150331 180.1
[M+CH3COO]- 346.165981 177.0
[M+Na-2H]- 308.126796 169.2
[M]+ 287.15158142 167.0
[M]- 287.15267858 167.0
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