CID 453208

Conoflorine

Structural Information

Molecular Formula
C19H24N2O
SMILES
CC[C@@]12CCC3=C(CCN(C1)C[C@@H]4[C@H]2O4)C5=CC=CC=C5N3
InChI
InChI=1S/C19H24N2O/c1-2-19-9-7-16-14(13-5-3-4-6-15(13)20-16)8-10-21(12-19)11-17-18(19)22-17/h3-6,17-18,20H,2,7-12H2,1H3/t17-,18-,19-/m1/s1
InChIKey
OGDFTQDRHAGLTB-GUDVDZBRSA-N
Compound name
(15R,16S,18R)-15-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

296.18887 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 195.3
[M+Na]+ 319.17809 193.4
[M-H]- 295.18159 194.0
[M+NH4]+ 314.22269 194.3
[M+K]+ 335.15203 195.2
[M+H-H2O]+ 279.18613 186.9
[M+HCOO]- 341.18707 194.9
[M+CH3COO]- 355.20272 195.5
[M+Na-2H]- 317.16354 196.5
[M]+ 296.18832 194.5
[M]- 296.18942 194.5
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.