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

7
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

literature stripe

Patent stripe

patents stripe