CID 3053839

(+)-(3-alpha,16-alpha)-14-imino-(15h)-eburnamenine

Structural Information

Molecular Formula
C19H23N3
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=N)C2
InChI
InChI=1S/C19H23N3/c1-2-19-9-5-10-21-11-8-14-13-6-3-4-7-15(13)22(16(20)12-19)17(14)18(19)21/h3-4,6-7,18,20H,2,5,8-12H2,1H3/t18-,19+/m1/s1
InChIKey
UODHWMIIDJUZIN-MOPGFXCFSA-N
Compound name
(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19648 170.9
[M+Na]+ 316.17842 183.9
[M+NH4]+ 311.22302 182.9
[M+K]+ 332.15236 174.3
[M-H]- 292.18192 174.2
[M+Na-2H]- 314.16387 174.1
[M]+ 293.18865 173.8
[M]- 293.18975 173.8
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.