CID 208160

Brn 0398687

Structural Information

Molecular Formula
C15H12N2O
SMILES
C1=CC=C2C(C3=C(C=CC2=C1)N=CC=C3)C(=O)N
InChI
InChI=1S/C15H12N2O/c16-15(18)14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-17-13/h1-9,14H,(H2,16,18)
InChIKey
OTYBAJBDCLMJSW-UHFFFAOYSA-N
Compound name
7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.102236 150.2
[M+Na]+ 259.084178 157.9
[M-H]- 235.087684 155.5
[M+NH4]+ 254.128783 167.3
[M+K]+ 275.058118 157.6
[M+H-H2O]+ 219.092220 144.2
[M+HCOO]- 281.093161 170.6
[M+CH3COO]- 295.108811 162.2
[M+Na-2H]- 257.069626 158.1
[M]+ 236.09441142 146.7
[M]- 236.09550858 146.7
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.