CID 5462443

Lycodine

Structural Information

Molecular Formula
C16H22N2
SMILES
C[C@@H]1C[C@H]2CC3=C(C=CC=N3)[C@@]4(C1)[C@@H]2CCCN4
InChI
InChI=1S/C16H22N2/c1-11-8-12-9-15-14(5-2-6-17-15)16(10-11)13(12)4-3-7-18-16/h2,5-6,11-13,18H,3-4,7-10H2,1H3/t11-,12+,13-,16-/m1/s1
InChIKey
JJPMUZRSJKMFRK-OQMKEHIESA-N
Compound name
(1R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

38
Patents

242.1783 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.185576 159.0
[M+Na]+ 265.167518 163.7
[M-H]- 241.171024 159.6
[M+NH4]+ 260.212123 177.3
[M+K]+ 281.141458 157.7
[M+H-H2O]+ 225.175560 149.1
[M+HCOO]- 287.176501 168.3
[M+CH3COO]- 301.192151 167.7
[M+Na-2H]- 263.152966 164.7
[M]+ 242.17775142 150.0
[M]- 242.17884858 150.0
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