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]+ 237.10224 150.2
[M+Na]+ 259.08418 157.9
[M-H]- 235.08768 155.5
[M+NH4]+ 254.12878 167.3
[M+K]+ 275.05812 157.6
[M+H-H2O]+ 219.09222 144.2
[M+HCOO]- 281.09316 170.6
[M+CH3COO]- 295.10881 162.2
[M+Na-2H]- 257.06963 158.1
[M]+ 236.09441 146.7
[M]- 236.09551 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.