CID 54712283

Nsc647412

Structural Information

Molecular Formula
C25H28N2O4
SMILES
C/C(=N\O)/C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C25H28N2O4/c1-17(26-30)20(16-27-14-8-3-9-15-27)22(18-10-4-2-5-11-18)23-24(28)19-12-6-7-13-21(19)31-25(23)29/h2,4-7,10-13,20,22,28,30H,3,8-9,14-16H2,1H3/b26-17+
InChIKey
FKYUHONBQGFIIV-YZSQISJMSA-N
Compound name
4-hydroxy-3-[(3E)-3-hydroxyimino-1-phenyl-2-(piperidin-1-ylmethyl)butyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.2049 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.21218 201.3
[M+Na]+ 443.19412 203.1
[M-H]- 419.19762 208.2
[M+NH4]+ 438.23872 207.2
[M+K]+ 459.16806 199.5
[M+H-H2O]+ 403.20216 190.1
[M+HCOO]- 465.20310 213.7
[M+CH3COO]- 479.21875 227.9
[M+Na-2H]- 441.17957 201.5
[M]+ 420.20435 197.9
[M]- 420.20545 197.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.