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 174.3
[M+Na]+ 337.13112 180.0
[M-H]- 313.13462 182.0
[M+NH4]+ 332.17572 188.0
[M+K]+ 353.10506 178.1
[M+H-H2O]+ 297.13916 166.6
[M+HCOO]- 359.14010 193.1
[M+CH3COO]- 373.15575 184.2
[M+Na-2H]- 335.11657 181.2
[M]+ 314.14135 169.7
[M]- 314.14245 169.7
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.