CID 6857502

Eburnamenine

Structural Information

Molecular Formula
C19H22N2
SMILES
CC[C@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4C=C2
InChI
InChI=1S/C19H22N2/c1-2-19-9-5-11-20-12-8-15-14-6-3-4-7-16(14)21(13-10-19)17(15)18(19)20/h3-4,6-7,10,13,18H,2,5,8-9,11-12H2,1H3/t18-,19+/m0/s1
InChIKey
VKTOXAGUZWAECL-RBUKOAKNSA-N
Compound name
(15R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

154
Patents

278.17828 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.185556 166.2
[M+Na]+ 301.167498 174.0
[M-H]- 277.171004 168.4
[M+NH4]+ 296.212103 187.5
[M+K]+ 317.141438 167.0
[M+H-H2O]+ 261.175540 155.9
[M+HCOO]- 323.176481 178.6
[M+CH3COO]- 337.192131 176.3
[M+Na-2H]- 299.152946 172.4
[M]+ 278.17773142 165.1
[M]- 278.17882858 165.1
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