CID 3041030

Brn 0668014

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CCCN1C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)N1
InChI
InChI=1S/C17H16N2O2/c1-2-11-19-17(21)15-10-6-4-8-13(15)12-7-3-5-9-14(12)16(20)18-19/h3-10H,2,11H2,1H3,(H,18,20)
InChIKey
ATLCCLYGSHBLFV-UHFFFAOYSA-N
Compound name
9-propyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-8,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1212 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 165.4
[M+Na]+ 303.110418 171.1
[M-H]- 279.113924 166.2
[M+NH4]+ 298.155023 172.1
[M+K]+ 319.084358 169.2
[M+H-H2O]+ 263.118460 160.5
[M+HCOO]- 325.119401 172.4
[M+CH3COO]- 339.135051 169.3
[M+Na-2H]- 301.095866 165.4
[M]+ 280.12065142 164.9
[M]- 280.12174858 164.9
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

No patent data available for this compound.