CID 3046777

Brn 2315062

Structural Information

Molecular Formula
C23H27FN2O4
SMILES
CCOC(=O)CCCNC(=O)CCCN=C(C1=CC=CC=C1)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C23H27FN2O4/c1-2-30-22(29)11-7-14-25-21(28)10-6-15-26-23(17-8-4-3-5-9-17)19-16-18(24)12-13-20(19)27/h3-5,8-9,12-13,16,27H,2,6-7,10-11,14-15H2,1H3,(H,25,28)
InChIKey
VNHIYBHVQVMXNC-UHFFFAOYSA-N
Compound name
ethyl 4-[4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanoylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1955 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.202776 201.7
[M+Na]+ 437.184718 204.1
[M-H]- 413.188224 205.7
[M+NH4]+ 432.229323 210.7
[M+K]+ 453.158658 200.2
[M+H-H2O]+ 397.192760 190.8
[M+HCOO]- 459.193701 222.3
[M+CH3COO]- 473.209351 230.4
[M+Na-2H]- 435.170166 200.2
[M]+ 414.19495142 203.5
[M]- 414.19604858 203.5
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.