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]+ 253.097146 160.8
[M+Na]+ 275.079088 167.0
[M-H]- 251.082594 161.9
[M+NH4]+ 270.123693 168.1
[M+K]+ 291.053028 165.3
[M+H-H2O]+ 235.087130 156.1
[M+HCOO]- 297.088071 168.2
[M+CH3COO]- 311.103721 165.1
[M+Na-2H]- 273.064536 161.4
[M]+ 252.08932142 160.1
[M]- 252.09041858 160.1
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.