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]+ 415.20278 201.7
[M+Na]+ 437.18472 204.1
[M-H]- 413.18822 205.7
[M+NH4]+ 432.22932 210.7
[M+K]+ 453.15866 200.2
[M+H-H2O]+ 397.19276 190.8
[M+HCOO]- 459.19370 222.3
[M+CH3COO]- 473.20935 230.4
[M+Na-2H]- 435.17017 200.2
[M]+ 414.19495 203.5
[M]- 414.19605 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.