CID 68882

Vindeburnol

Structural Information

Molecular Formula
C17H20N2O
SMILES
C1C[C@@H]2C[C@H](N3C4=CC=CC=C4C5=C3[C@H]2N(C1)CC5)O
InChI
InChI=1S/C17H20N2O/c20-15-10-11-4-3-8-18-9-7-13-12-5-1-2-6-14(12)19(15)17(13)16(11)18/h1-2,5-6,11,15-16,20H,3-4,7-10H2/t11-,15-,16+/m1/s1
InChIKey
KOIGYXJOGRVNIS-LYRGGWFBSA-N
Compound name
(15R,17R,19S)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

65
Patents

268.15756 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 160.3
[M+Na]+ 291.14678 167.0
[M-H]- 267.15028 161.1
[M+NH4]+ 286.19138 179.4
[M+K]+ 307.12072 160.7
[M+H-H2O]+ 251.15482 151.5
[M+HCOO]- 313.15576 170.6
[M+CH3COO]- 327.17141 169.9
[M+Na-2H]- 289.13223 165.1
[M]+ 268.15701 157.1
[M]- 268.15811 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.