CID 2930221

333314-79-7

Structural Information

Molecular Formula
C26H24N2O3
SMILES
COC1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC(=O)CCC4=CC=CC=C4
InChI
InChI=1S/C26H24N2O3/c1-31-21-13-10-20(11-14-21)24(28-23(29)16-9-18-6-3-2-4-7-18)22-15-12-19-8-5-17-27-25(19)26(22)30/h2-8,10-15,17,24,30H,9,16H2,1H3,(H,28,29)
InChIKey
RFCCQJJHFAITGH-UHFFFAOYSA-N
Compound name
N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

412.17868 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 200.6
[M+Na]+ 435.16790 204.9
[M-H]- 411.17140 207.6
[M+NH4]+ 430.21250 208.4
[M+K]+ 451.14184 198.8
[M+H-H2O]+ 395.17594 189.0
[M+HCOO]- 457.17688 218.4
[M+CH3COO]- 471.19253 208.2
[M+Na-2H]- 433.15335 203.6
[M]+ 412.17813 200.8
[M]- 412.17923 200.8
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.