CID 3075060

171258-71-2

Structural Information

Molecular Formula
C30H23N3O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H23N3O2/c34-29(25-20-27(21-12-4-1-5-13-21)31-26-19-11-10-18-24(25)26)33-30(35)32-28(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20,28H,(H2,32,33,34,35)
InChIKey
ODUJYOZGYCYKRB-UHFFFAOYSA-N
Compound name
N-(benzhydrylcarbamoyl)-2-phenylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.17902 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.18630 209.8
[M+Na]+ 480.16824 212.2
[M-H]- 456.17174 220.3
[M+NH4]+ 475.21284 215.0
[M+K]+ 496.14218 205.2
[M+H-H2O]+ 440.17628 196.6
[M+HCOO]- 502.17722 228.6
[M+CH3COO]- 516.19287 216.3
[M+Na-2H]- 478.15369 214.0
[M]+ 457.17847 206.4
[M]- 457.17957 206.4
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.