CID 3042323

1,4-dihydro-4-oxo-n,1,2,6-tetraphenylnicotinamide

Structural Information

Molecular Formula
C30H22N2O2
SMILES
C1=CC=C(C=C1)C2=CC(=O)C(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
InChI
InChI=1S/C30H22N2O2/c33-27-21-26(22-13-5-1-6-14-22)32(25-19-11-4-12-20-25)29(23-15-7-2-8-16-23)28(27)30(34)31-24-17-9-3-10-18-24/h1-21H,(H,31,34)
InChIKey
FEYBKXCWYSNHPC-UHFFFAOYSA-N
Compound name
4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

442.16812 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.17540 210.6
[M+Na]+ 465.15734 216.3
[M-H]- 441.16084 224.0
[M+NH4]+ 460.20194 216.0
[M+K]+ 481.13128 207.9
[M+H-H2O]+ 425.16538 196.5
[M+HCOO]- 487.16632 231.5
[M+CH3COO]- 501.18197 218.4
[M+Na-2H]- 463.14279 213.4
[M]+ 442.16757 208.2
[M]- 442.16867 208.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe