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]+ 341.22238 185.2
[M+Na]+ 363.20432 191.2
[M-H]- 339.20782 187.0
[M+NH4]+ 358.24892 205.9
[M+K]+ 379.17826 185.7
[M+H-H2O]+ 323.21236 177.1
[M+HCOO]- 385.21330 194.1
[M+CH3COO]- 399.22895 193.7
[M+Na-2H]- 361.18977 183.4
[M]+ 340.21455 185.0
[M]- 340.21565 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