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]+ 282.16008 166.6
[M+Na]+ 304.14202 175.0
[M-H]- 280.14552 170.2
[M+NH4]+ 299.18662 182.7
[M+K]+ 320.11596 171.8
[M+H-H2O]+ 264.15006 157.9
[M+HCOO]- 326.15100 180.6
[M+CH3COO]- 340.16665 176.7
[M+Na-2H]- 302.12747 170.0
[M]+ 281.15225 162.9
[M]- 281.15335 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.