CID 3072796

144109-17-1

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CC(=O)N1CC2C3=CC=CN3C4=CC=CC=C4CN2C(=O)C1
InChI
InChI=1S/C17H17N3O2/c1-12(21)18-10-16-15-7-4-8-19(15)14-6-3-2-5-13(14)9-20(16)17(22)11-18/h2-8,16H,9-11H2,1H3
InChIKey
SAOTZOXZIFJAOZ-UHFFFAOYSA-N
Compound name
9-acetyl-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

295.13208 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13936 168.2
[M+Na]+ 318.12130 178.9
[M+NH4]+ 313.16590 175.3
[M+K]+ 334.09524 175.4
[M-H]- 294.12480 169.0
[M+Na-2H]- 316.10675 170.6
[M]+ 295.13153 169.8
[M]- 295.13263 169.8
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.