CID 2920645

Oprea1_698002

Structural Information

Molecular Formula
C23H23ClN2O2
SMILES
C1CCC(CC1)C(=O)NC(C2=CC=C(C=C2)Cl)C3=C(C4=C(C=CC=N4)C=C3)O
InChI
InChI=1S/C23H23ClN2O2/c24-18-11-8-16(9-12-18)20(26-23(28)17-5-2-1-3-6-17)19-13-10-15-7-4-14-25-21(15)22(19)27/h4,7-14,17,20,27H,1-3,5-6H2,(H,26,28)
InChIKey
FEMAOGCTYDYUOH-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

394.1448 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.15208 192.4
[M+Na]+ 417.13402 196.3
[M-H]- 393.13752 198.7
[M+NH4]+ 412.17862 202.1
[M+K]+ 433.10796 189.0
[M+H-H2O]+ 377.14206 182.4
[M+HCOO]- 439.14300 202.5
[M+CH3COO]- 453.15865 199.7
[M+Na-2H]- 415.11947 193.6
[M]+ 394.14425 188.9
[M]- 394.14535 188.9
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