CID 253676

Mimbane

Structural Information

Molecular Formula
C20H26N2
SMILES
CN1C2=CC=CC=C2C3=C1[C@@H]4C[C@@H]5CCCC[C@H]5CN4CC3
InChI
InChI=1S/C20H26N2/c1-21-18-9-5-4-8-16(18)17-10-11-22-13-15-7-3-2-6-14(15)12-19(22)20(17)21/h4-5,8-9,14-15,19H,2-3,6-7,10-13H2,1H3/t14-,15-,19-/m0/s1
InChIKey
SNMPZBCEJSLAEK-DOXZYTNZSA-N
Compound name
(1S,15R,20S)-3-methyl-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1142
Patents

294.2096 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 171.0
[M+Na]+ 317.19882 177.2
[M-H]- 293.20232 173.8
[M+NH4]+ 312.24342 189.2
[M+K]+ 333.17276 169.9
[M+H-H2O]+ 277.20686 161.1
[M+HCOO]- 339.20780 181.4
[M+CH3COO]- 353.22345 180.0
[M+Na-2H]- 315.18427 173.2
[M]+ 294.20905 165.1
[M]- 294.21015 165.1
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

No patent data available for this compound.