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 168.3
[M+Na]+ 316.17842 175.4
[M-H]- 292.18192 170.3
[M+NH4]+ 311.22302 188.8
[M+K]+ 332.15236 168.2
[M+H-H2O]+ 276.18646 158.3
[M+HCOO]- 338.18740 180.4
[M+CH3COO]- 352.20305 177.8
[M+Na-2H]- 314.16387 173.9
[M]+ 293.18865 165.0
[M]- 293.18975 165.0
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

patents stripe