CID 131751006

14,19-dihydroaspidospermatine

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCC1C2CCN3C1C4(CC3)C(C2)N(C5=C4C=CC=C5OC)C(=O)C
InChI
InChI=1S/C21H28N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h5-7,14-15,18,20H,4,8-12H2,1-3H3
InChIKey
KNCZYJAUVPNGON-UHFFFAOYSA-N
Compound name
1-(18-ethyl-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.2151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.222376 185.2
[M+Na]+ 363.204318 191.2
[M-H]- 339.207824 187.0
[M+NH4]+ 358.248923 205.9
[M+K]+ 379.178258 185.7
[M+H-H2O]+ 323.212360 177.1
[M+HCOO]- 385.213301 194.1
[M+CH3COO]- 399.228951 193.7
[M+Na-2H]- 361.189766 183.4
[M]+ 340.21455142 185.0
[M]- 340.21564858 185.0
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

patents stripe