CID 165550

17994-15-9

Structural Information

Molecular Formula

C₁₉H₁₇N₂

SMILES

C1CCC2=C[N+]3=C(C=C2C1)C4=C(C=C3)C5=CC=CC=C5N4

InChI

InChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h3-4,7-12H,1-2,5-6H2/p+1

InChIKey

UQVUEULZDJRMJR-UHFFFAOYSA-O

Compound name

16,17,18,19-tetrahydro-3H-yohimban-13-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 89
Patents: 273.13916 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.14644	162.7
[M+Na]+	296.12838	172.7
[M-H]-	272.13188	166.6
[M+NH4]+	291.17298	180.9
[M+K]+	312.10232	159.0
[M+H-H2O]+	256.13642	156.2
[M+HCOO]-	318.13736	178.9
[M+CH3COO]-	332.15301	173.6
[M+Na-2H]-	294.11383	173.5
[M]+	273.13861	160.8
[M]-	273.13971	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe