CID 71300665

(3-alpha,16-alpha)-eburnamenin-14(15h)-one o-(2-(diethylamino)ethyl)oxime dihydrochloride h2o

Structural Information

Molecular Formula
C25H36N4O
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4/C(=N\OCCN(CC)CC)/C2
InChI
InChI=1S/C25H36N4O/c1-4-25-13-9-14-28-15-12-20-19-10-7-8-11-21(19)29(23(20)24(25)28)22(18-25)26-30-17-16-27(5-2)6-3/h7-8,10-11,24H,4-6,9,12-18H2,1-3H3/b26-22-/t24-,25+/m1/s1
InChIKey
CIIHGFHJTONEFX-FHOFUINGSA-N
Compound name
N,N-diethyl-2-[(Z)-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ylidene]amino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2889 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.29618 202.8
[M+Na]+ 431.27812 213.4
[M+NH4]+ 426.32272 213.3
[M+K]+ 447.25206 203.7
[M-H]- 407.28162 206.4
[M+Na-2H]- 429.26357 204.7
[M]+ 408.28835 205.4
[M]- 408.28945 205.4
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.