CID 36407

Brn 0402162

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1CC2=C(C=CC=N2)C(C3=CC=CC=C31)C(=O)N
InChI
InChI=1S/C15H14N2O/c16-15(18)14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-17-13/h1-6,9,14H,7-8H2,(H2,16,18)
InChIKey
OPQULRTWFOXNTE-UHFFFAOYSA-N
Compound name
7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.117886 150.9
[M+Na]+ 261.099828 157.6
[M-H]- 237.103334 155.8
[M+NH4]+ 256.144433 167.8
[M+K]+ 277.073768 157.4
[M+H-H2O]+ 221.107870 144.8
[M+HCOO]- 283.108811 169.9
[M+CH3COO]- 297.124461 162.3
[M+Na-2H]- 259.085276 157.9
[M]+ 238.11006142 146.0
[M]- 238.11115858 146.0
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.