CID 3041028

Brn 0660693

Structural Information

Molecular Formula
C15H12N2O2
SMILES
CN1C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)N1
InChI
InChI=1S/C15H12N2O2/c1-17-15(19)13-9-5-3-7-11(13)10-6-2-4-8-12(10)14(18)16-17/h2-9H,1H3,(H,16,18)
InChIKey
ZDUQEMPAAPZSDY-UHFFFAOYSA-N
Compound name
9-methyl-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

252.08987 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 159.8
[M+Na]+ 275.07909 164.5
[M+NH4]+ 270.12369 162.3
[M+K]+ 291.05303 162.7
[M-H]- 251.08259 160.4
[M+Na-2H]- 273.06454 162.1
[M]+ 252.08932 160.6
[M]- 252.09042 160.6
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.