CID 18412807

Ns00116697

Structural Information

Molecular Formula
C21H26N2O4
SMILES
COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=C(N4)C=C(C=C5)O)O
InChI
InChI=1S/C21H26N2O4/c1-27-21(26)19-15-9-17-20-14(13-4-3-12(24)8-16(13)22-20)6-7-23(17)10-11(15)2-5-18(19)25/h3-4,8,11,15,17-19,22,24-25H,2,5-7,9-10H2,1H3
InChIKey
MIUYYRGOYGWVDO-UHFFFAOYSA-N
Compound name
methyl 6,18-dihydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18927 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 186.4
[M+Na]+ 393.178488 191.7
[M-H]- 369.181994 185.9
[M+NH4]+ 388.223093 199.5
[M+K]+ 409.152428 185.3
[M+H-H2O]+ 353.186530 178.4
[M+HCOO]- 415.187471 191.5
[M+CH3COO]- 429.203121 193.0
[M+Na-2H]- 391.163936 186.0
[M]+ 370.18872142 181.3
[M]- 370.18981858 181.3
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

No patent data available for this compound.