CID 213671

N-(dibenzo(2,3:6,7)cycloheptadien-5-yl)isonicotinamide [french]

Structural Information

Molecular Formula
C21H18N2O
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)NC(=O)C4=CC=NC=C4
InChI
InChI=1S/C21H18N2O/c24-21(17-11-13-22-14-12-17)23-20-18-7-3-1-5-15(18)9-10-16-6-2-4-8-19(16)20/h1-8,11-14,20H,9-10H2,(H,23,24)
InChIKey
NPOOEJYCKXXMJA-UHFFFAOYSA-N
Compound name
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1419 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14918 175.9
[M+Na]+ 337.13112 189.3
[M+NH4]+ 332.17572 184.4
[M+K]+ 353.10506 181.3
[M-H]- 313.13462 181.6
[M+Na-2H]- 335.11657 184.6
[M]+ 314.14135 179.6
[M]- 314.14245 179.6
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.