CID 5351573

Tetraphyllicine

Structural Information

Molecular Formula
C20H24N2O
SMILES
C/C=C\1/CN2[C@H]3CC1C4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O
InChI
InChI=1S/C20H24N2O/c1-3-11-10-22-15-8-12(11)17-16(22)9-20(19(17)23)13-6-4-5-7-14(13)21(2)18(15)20/h3-7,12,15-19,23H,8-10H2,1-2H3/b11-3-/t12?,15-,16-,17?,18-,19+,20+/m0/s1
InChIKey
VBEQZFNVRMPLSM-AXCXAUSISA-N
Compound name
(1R,9R,10S,13E,16S,18R)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

308.18887 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 173.5
[M+Na]+ 331.17809 183.9
[M+NH4]+ 326.22269 186.3
[M+K]+ 347.15203 177.3
[M-H]- 307.18159 172.8
[M+Na-2H]- 329.16354 168.2
[M]+ 308.18832 174.9
[M]- 308.18942 174.9
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.