CID 202033

Isoconessin

Structural Information

Molecular Formula
C24H40N2
SMILES
C[C@H]1[C@H]2CC[C@H]3C2(CCC4=C3CC[C@]5([C@@H]4CC[C@@H](C5)N(C)C)C)CN1C
InChI
InChI=1S/C24H40N2/c1-16-20-8-9-22-19-10-12-23(2)14-17(25(3)4)6-7-21(23)18(19)11-13-24(20,22)15-26(16)5/h16-17,20-22H,6-15H2,1-5H3/t16-,17-,20+,21+,22+,23+,24?/m0/s1
InChIKey
WEJFRYPITOBZAI-OJAKLJKOSA-N
Compound name
(2R,5S,6S,13S,16S,18R)-N,N,6,7,18-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(12)-en-16-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.31915 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.32643 193.1
[M+Na]+ 379.30837 196.4
[M-H]- 355.31187 198.1
[M+NH4]+ 374.35297 215.9
[M+K]+ 395.28231 190.4
[M+H-H2O]+ 339.31641 184.5
[M+HCOO]- 401.31735 201.4
[M+CH3COO]- 415.33300 200.7
[M+Na-2H]- 377.29382 188.1
[M]+ 356.31860 185.9
[M]- 356.31970 185.9
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.