CID 2927506

Oprea1_069215

Structural Information

Molecular Formula
C23H25ClN2O2
SMILES
CC(C)C1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC(=O)C(C)C
InChI
InChI=1S/C23H25ClN2O2/c1-13(2)15-7-9-16(10-8-15)20(26-23(28)14(3)4)18-12-19(24)17-6-5-11-25-21(17)22(18)27/h5-14,20,27H,1-4H3,(H,26,28)
InChIKey
BHJWVIQRDPSQPF-UHFFFAOYSA-N
Compound name
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

396.16046 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16774 194.9
[M+Na]+ 419.14968 201.0
[M-H]- 395.15318 199.5
[M+NH4]+ 414.19428 205.7
[M+K]+ 435.12362 194.9
[M+H-H2O]+ 379.15772 186.7
[M+HCOO]- 441.15866 206.3
[M+CH3COO]- 455.17431 226.2
[M+Na-2H]- 417.13513 193.7
[M]+ 396.15991 197.6
[M]- 396.16101 197.6
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