CID 122691

Lysicamine

Structural Information

Molecular Formula
C18H13NO3
SMILES
COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC=CC=C42)OC
InChI
InChI=1S/C18H13NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-9H,1-2H3
InChIKey
DPBMWJXWUINLQT-UHFFFAOYSA-N
Compound name
15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

27
Patents

291.08954 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09682 165.5
[M+Na]+ 314.07876 176.1
[M-H]- 290.08226 170.3
[M+NH4]+ 309.12336 183.2
[M+K]+ 330.05270 171.4
[M+H-H2O]+ 274.08680 156.5
[M+HCOO]- 336.08774 183.9
[M+CH3COO]- 350.10339 177.6
[M+Na-2H]- 312.06421 173.9
[M]+ 291.08899 170.7
[M]- 291.09009 170.7
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.