CID 3041029

Brn 0664787

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CCN1C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)N1
InChI
InChI=1S/C16H14N2O2/c1-2-18-16(20)14-10-6-4-8-12(14)11-7-3-5-9-13(11)15(19)17-18/h3-10H,2H2,1H3,(H,17,19)
InChIKey
VKCNNONVPTVBHD-UHFFFAOYSA-N
Compound name
9-ethyl-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

266.10553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 163.1
[M+Na]+ 289.09475 169.0
[M-H]- 265.09825 164.1
[M+NH4]+ 284.13935 170.1
[M+K]+ 305.06869 167.2
[M+H-H2O]+ 249.10279 158.3
[M+HCOO]- 311.10373 170.3
[M+CH3COO]- 325.11938 167.2
[M+Na-2H]- 287.08020 163.4
[M]+ 266.10498 162.5
[M]- 266.10608 162.5
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.