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

literature stripe

Patent stripe

patents stripe