CID 11346210

Vindeburnol

Structural Information

Molecular Formula
C17H20N2O
SMILES
C1CC2CC(N3C4=CC=CC=C4C5=C3C2N(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
InChIKey
KOIGYXJOGRVNIS-UHFFFAOYSA-N
Compound name
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

12
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

literature stripe

Patent stripe

patents stripe