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]+ 267.112806 163.1
[M+Na]+ 289.094748 169.0
[M-H]- 265.098254 164.1
[M+NH4]+ 284.139353 170.1
[M+K]+ 305.068688 167.2
[M+H-H2O]+ 249.102790 158.3
[M+HCOO]- 311.103731 170.3
[M+CH3COO]- 325.119381 167.2
[M+Na-2H]- 287.080196 163.4
[M]+ 266.10498142 162.5
[M]- 266.10607858 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.