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]+ 281.12848 165.4
[M+Na]+ 303.11042 171.1
[M-H]- 279.11392 166.2
[M+NH4]+ 298.15502 172.1
[M+K]+ 319.08436 169.2
[M+H-H2O]+ 263.11846 160.5
[M+HCOO]- 325.11940 172.4
[M+CH3COO]- 339.13505 169.3
[M+Na-2H]- 301.09587 165.4
[M]+ 280.12065 164.9
[M]- 280.12175 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.