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
2
Annotation Hits

0
References

1149
Patents

294.2096 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.216876 171.0
[M+Na]+ 317.198818 177.2
[M-H]- 293.202324 173.8
[M+NH4]+ 312.243423 189.2
[M+K]+ 333.172758 169.9
[M+H-H2O]+ 277.206860 161.1
[M+HCOO]- 339.207801 181.4
[M+CH3COO]- 353.223451 180.0
[M+Na-2H]- 315.184266 173.2
[M]+ 294.20905142 165.1
[M]- 294.21014858 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

literature stripe

Patent stripe

patents stripe