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]+ 239.11789 150.9
[M+Na]+ 261.09983 157.6
[M-H]- 237.10333 155.8
[M+NH4]+ 256.14443 167.8
[M+K]+ 277.07377 157.4
[M+H-H2O]+ 221.10787 144.8
[M+HCOO]- 283.10881 169.9
[M+CH3COO]- 297.12446 162.3
[M+Na-2H]- 259.08528 157.9
[M]+ 238.11006 146.0
[M]- 238.11116 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.