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]+ 371.19655 186.4
[M+Na]+ 393.17849 191.7
[M-H]- 369.18199 185.9
[M+NH4]+ 388.22309 199.5
[M+K]+ 409.15243 185.3
[M+H-H2O]+ 353.18653 178.4
[M+HCOO]- 415.18747 191.5
[M+CH3COO]- 429.20312 193.0
[M+Na-2H]- 391.16394 186.0
[M]+ 370.18872 181.3
[M]- 370.18982 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.