CID 71300737

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

Structural Information

Molecular Formula
C23H32N4O
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4/C(=N\OCCN(C)C)/C2
InChI
InChI=1S/C23H32N4O/c1-4-23-11-7-12-26-13-10-18-17-8-5-6-9-19(17)27(21(18)22(23)26)20(16-23)24-28-15-14-25(2)3/h5-6,8-9,22H,4,7,10-16H2,1-3H3/b24-20-/t22-,23+/m1/s1
InChIKey
MGAYSVNYVRGLLT-ZDEDIORFSA-N
Compound name
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]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.2576 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.26488 194.0
[M+Na]+ 403.24682 205.1
[M+NH4]+ 398.29142 204.8
[M+K]+ 419.22076 195.8
[M-H]- 379.25032 197.7
[M+Na-2H]- 401.23227 196.4
[M]+ 380.25705 196.7
[M]- 380.25815 196.7
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.