CID 145925533

Delphamine

Structural Information

Molecular Formula
C24H39NO7
SMILES
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H](C6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)OC)O)COC
InChI
InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12?,13-,14+,15+,16-,17+,18-,19+,20+,21+,22-,23+,24-/m1/s1
InChIKey
BMZNJVXOLCBDPZ-BEHOQNKPSA-N
Compound name
(1S,2R,3R,4S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

453.27264 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.27992 205.1
[M+Na]+ 476.26186 208.4
[M+NH4]+ 471.30646 216.7
[M+K]+ 492.23580 201.2
[M-H]- 452.26536 201.7
[M+Na-2H]- 474.24731 200.4
[M]+ 453.27209 204.7
[M]- 453.27319 204.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe