CID 3072795

144109-16-0

Structural Information

Molecular Formula
C17H19N3O
SMILES
CCN1CC2C3=CC=CN3C4=CC=CC=C4CN2C(=O)C1
InChI
InChI=1S/C17H19N3O/c1-2-18-11-16-15-8-5-9-19(15)14-7-4-3-6-13(14)10-20(16)17(21)12-18/h3-9,16H,2,10-12H2,1H3
InChIKey
OQDJYDKXXZTWDG-UHFFFAOYSA-N
Compound name
9-ethyl-2,9,12-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,14,16-pentaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.1528 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.160076 166.6
[M+Na]+ 304.142018 175.0
[M-H]- 280.145524 170.2
[M+NH4]+ 299.186623 182.7
[M+K]+ 320.115958 171.8
[M+H-H2O]+ 264.150060 157.9
[M+HCOO]- 326.151001 180.6
[M+CH3COO]- 340.166651 176.7
[M+Na-2H]- 302.127466 170.0
[M]+ 281.15225142 162.9
[M]- 281.15334858 162.9
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

No patent data available for this compound.