CID 20231124

94831-77-3

Structural Information

Molecular Formula
C18H22N2O
SMILES
CCC1CC(=O)N2C3=CC=CC=C3C4=C2C1N(CC4)CC
InChI
InChI=1S/C18H22N2O/c1-3-12-11-16(21)20-15-8-6-5-7-13(15)14-9-10-19(4-2)17(12)18(14)20/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKey
ONLWUYKGFIWWCW-UHFFFAOYSA-N
Compound name
4,6-diethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

282.17322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 167.5
[M+Na]+ 305.16244 181.8
[M+NH4]+ 300.20704 177.2
[M+K]+ 321.13638 174.7
[M-H]- 281.16594 170.1
[M+Na-2H]- 303.14789 170.4
[M]+ 282.17267 170.4
[M]- 282.17377 170.4
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

patents stripe