CID 165415546

Pre-flavunoidine

Structural Information

Molecular Formula
C22H40N2O
SMILES
CC1CCC2C13CCC4(C(C3)C(C2(O4)C)NCCCCCN(C)C)C
InChI
InChI=1S/C22H40N2O/c1-16-9-10-18-21(3)19(23-13-7-6-8-14-24(4)5)17-15-22(16,18)12-11-20(17,2)25-21/h16-19,23H,6-15H2,1-5H3
InChIKey
YLLLLBHEAHDXCP-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(2,6,9-trimethyl-13-oxatetracyclo[6.3.1.16,9.01,5]tridecan-7-yl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.31406 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.32134 188.0
[M+Na]+ 371.30328 193.0
[M+NH4]+ 366.34788 201.4
[M+K]+ 387.27722 184.0
[M-H]- 347.30678 190.5
[M+Na-2H]- 369.28873 187.9
[M]+ 348.31351 189.6
[M]- 348.31461 189.6
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.