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 168.6
[M+Na]+ 305.16244 177.6
[M-H]- 281.16594 171.3
[M+NH4]+ 300.20704 187.5
[M+K]+ 321.13638 171.6
[M+H-H2O]+ 265.17048 160.3
[M+HCOO]- 327.17142 183.5
[M+CH3COO]- 341.18707 179.5
[M+Na-2H]- 303.14789 171.5
[M]+ 282.17267 169.6
[M]- 282.17377 169.6
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