CID 71300676

(3-alpha,16-alpha)-eburnamenin-14(15h)-one o-(2-(1-pyrrolidinyl)ethyl)oxime dihydrochloride h2

Structural Information

Molecular Formula
C25H34N4O
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4/C(=N\OCCN6CCCC6)/C2
InChI
InChI=1S/C25H34N4O/c1-2-25-11-7-14-28-15-10-20-19-8-3-4-9-21(19)29(23(20)24(25)28)22(18-25)26-30-17-16-27-12-5-6-13-27/h3-4,8-9,24H,2,5-7,10-18H2,1H3/b26-22-/t24-,25+/m1/s1
InChIKey
WNXADUUBPICNOF-FHOFUINGSA-N
Compound name
(Z,15S,19S)-15-ethyl-N-(2-pyrrolidin-1-ylethoxy)-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

406.27325 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.28053 201.7
[M+Na]+ 429.26247 212.4
[M+NH4]+ 424.30707 212.4
[M+K]+ 445.23641 204.6
[M-H]- 405.26597 205.5
[M+Na-2H]- 427.24792 203.5
[M]+ 406.27270 204.3
[M]- 406.27380 204.3
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.