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

54
Patents

273.13916 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14644 159.8
[M+Na]+ 296.12838 179.7
[M+NH4]+ 291.17298 172.4
[M+K]+ 312.10232 171.4
[M-H]- 272.13188 166.5
[M+Na-2H]- 294.11383 168.4
[M]+ 273.13861 165.3
[M]- 273.13971 165.3
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

patents stripe