CID 120733

16-alpha-methylyohimbol

Structural Information

Molecular Formula
C20H26N2O
SMILES
C[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O
InChI
InChI=1S/C20H26N2O/c1-12-16-10-18-20-15(14-4-2-3-5-17(14)21-20)8-9-22(18)11-13(16)6-7-19(12)23/h2-5,12-13,16,18-19,21,23H,6-11H2,1H3/t12-,13+,16-,18+,19+/m1/s1
InChIKey
UDCOGXBNLMAMMD-KOYAIAQHSA-N
Compound name
(1S,15R,18S,19R,20S)-19-methyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.2045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 174.3
[M+Na]+ 333.19372 180.5
[M-H]- 309.19722 174.9
[M+NH4]+ 328.23832 190.7
[M+K]+ 349.16766 172.4
[M+H-H2O]+ 293.20176 165.6
[M+HCOO]- 355.20270 181.9
[M+CH3COO]- 369.21835 182.2
[M+Na-2H]- 331.17917 175.6
[M]+ 310.20395 167.0
[M]- 310.20505 167.0
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