CID 6366700

5-(1-cyclohexyl-2-(1h-imidazol-1-yl)-3-phenylpropylidene)aminooxypentanoic acid

Structural Information

Molecular Formula
C23H31N3O3
SMILES
C1CCC(CC1)/C(=N\OCCCCC(=O)O)/C(CC2=CC=CC=C2)N3C=CN=C3
InChI
InChI=1S/C23H31N3O3/c27-22(28)13-7-8-16-29-25-23(20-11-5-2-6-12-20)21(26-15-14-24-18-26)17-19-9-3-1-4-10-19/h1,3-4,9-10,14-15,18,20-21H,2,5-8,11-13,16-17H2,(H,27,28)/b25-23+
InChIKey
LBMBJNYANOLTNM-WJTDDFOZSA-N
Compound name
5-[(E)-(1-cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

397.23654 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.24382 198.9
[M+Na]+ 420.22576 206.8
[M+NH4]+ 415.27036 203.8
[M+K]+ 436.19970 202.5
[M-H]- 396.22926 201.9
[M+Na-2H]- 418.21121 204.2
[M]+ 397.23599 200.3
[M]- 397.23709 200.3
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