CID 2815487

Ccg-53520

Structural Information

Molecular Formula
C22H18N2O2
SMILES
CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=C(OC(=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C22H18N2O2/c1-14-8-9-17-12-18(10-11-20(17)23-14)24-22(25)19-13-21(26-15(19)2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25)
InChIKey
YQLFOAPXWUCTTL-UHFFFAOYSA-N
Compound name
2-methyl-N-(2-methylquinolin-6-yl)-5-phenylfuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

342.13684 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.144116 182.4
[M+Na]+ 365.126058 191.9
[M-H]- 341.129564 193.5
[M+NH4]+ 360.170663 195.6
[M+K]+ 381.099998 186.9
[M+H-H2O]+ 325.134100 172.9
[M+HCOO]- 387.135041 205.6
[M+CH3COO]- 401.150691 194.2
[M+Na-2H]- 363.111506 186.6
[M]+ 342.13629142 186.0
[M]- 342.13738858 186.0
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

No patent data available for this compound.