CID 168475464

10-hydroxy-pre-flavunoidine

Structural Information

Molecular Formula
C22H40N2O2
SMILES
CC1CCC2C13CC4C(C2(OC4(CC3O)C)C)NCCCCCN(C)C
InChI
InChI=1S/C22H40N2O2/c1-15-9-10-17-21(3)19(23-11-7-6-8-12-24(4)5)16-13-22(15,17)18(25)14-20(16,2)26-21/h15-19,23,25H,6-14H2,1-5H3
InChIKey
WOPTWQVXPWEBSB-UHFFFAOYSA-N
Compound name
7-[5-(dimethylamino)pentylamino]-2,6,9-trimethyl-13-oxatetracyclo[6.3.1.16,9.01,5]tridecan-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.309 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.31628 188.9
[M+Na]+ 387.29822 192.3
[M-H]- 363.30172 190.5
[M+NH4]+ 382.34282 213.0
[M+K]+ 403.27216 188.7
[M+H-H2O]+ 347.30626 184.2
[M+HCOO]- 409.30720 199.2
[M+CH3COO]- 423.32285 227.5
[M+Na-2H]- 385.28367 190.6
[M]+ 364.30845 190.3
[M]- 364.30955 190.3
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.