CID 3037132

Latifoline (funtumia)

Structural Information

Molecular Formula
C22H35NO
SMILES
C[C@H]1[C@H]2CC[C@@H]3C2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)CN1C
InChI
InChI=1S/C22H35NO/c1-14-18-6-7-20-17-5-4-15-12-16(24)8-10-21(15,2)19(17)9-11-22(18,20)13-23(14)3/h4,14,16-20,24H,5-13H2,1-3H3/t14-,16-,17+,18+,19-,20-,21-,22?/m0/s1
InChIKey
KCXUKADVTVDPOM-HEBIFMERSA-N
Compound name
(1R,2S,5S,6S,12S,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.27185 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.27913 185.2
[M+Na]+ 352.26107 193.6
[M+NH4]+ 347.30567 198.4
[M+K]+ 368.23501 185.5
[M-H]- 328.26457 188.1
[M+Na-2H]- 350.24652 185.8
[M]+ 329.27130 187.4
[M]- 329.27240 187.4
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.