CID 9587930

Deoxyvincaldehyde oxime

Structural Information

Molecular Formula
C20H25N3O
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(C2)/C=N/O
InChI
InChI=1S/C20H25N3O/c1-2-20-9-5-10-22-11-8-16-15-6-3-4-7-17(15)23(18(16)19(20)22)14(12-20)13-21-24/h3-4,6-7,13-14,19,24H,2,5,8-12H2,1H3/b21-13+/t14?,19-,20+/m1/s1
InChIKey
RNHQTTKBVIUJPA-MHZLKGOJSA-N
Compound name
(NE)-N-[[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 178.6
[M+Na]+ 346.18899 190.9
[M+NH4]+ 341.23359 189.9
[M+K]+ 362.16293 181.6
[M-H]- 322.19249 181.4
[M+Na-2H]- 344.17444 181.2
[M]+ 323.19922 181.3
[M]- 323.20032 181.3
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.