CID 101018054

Chembl3350248

Structural Information

Molecular Formula
C26H28N2O4
SMILES
C/C(=N/OC(C1CCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)/C(=O)O
InChI
InChI=1S/C26H28N2O4/c1-18(26(29)30)28-32-25(20-8-3-2-4-9-20)21-12-15-23(16-13-21)31-17-22-14-11-19-7-5-6-10-24(19)27-22/h5-7,10-16,20,25H,2-4,8-9,17H2,1H3,(H,29,30)/b28-18-
InChIKey
USBHSZPRMPADOE-VEILYXNESA-N
Compound name
(2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.2049 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.21218 204.8
[M+Na]+ 455.19412 216.6
[M+NH4]+ 450.23872 211.1
[M+K]+ 471.16806 209.2
[M-H]- 431.19762 210.4
[M+Na-2H]- 453.17957 212.1
[M]+ 432.20435 207.8
[M]- 432.20545 207.8
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

No patent data available for this compound.