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

41
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

literature stripe

Patent stripe

patents stripe