CID 3055718

2-methoxyethyl 4-(((4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylene)amino)butyrate

Structural Information

Molecular Formula
C20H21ClFNO4
SMILES
COCCOC(=O)CCCN=C(C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C20H21ClFNO4/c1-26-11-12-27-19(25)3-2-10-23-20(14-4-6-15(21)7-5-14)17-13-16(22)8-9-18(17)24/h4-9,13,24H,2-3,10-12H2,1H3
InChIKey
GURAMNRTUVPTOZ-UHFFFAOYSA-N
Compound name
2-methoxyethyl 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

436
Patents

393.11432 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.12160 190.6
[M+Na]+ 416.10354 197.1
[M-H]- 392.10704 195.5
[M+NH4]+ 411.14814 202.4
[M+K]+ 432.07748 191.9
[M+H-H2O]+ 376.11158 181.6
[M+HCOO]- 438.11252 207.6
[M+CH3COO]- 452.12817 221.6
[M+Na-2H]- 414.08899 190.4
[M]+ 393.11377 196.5
[M]- 393.11487 196.5
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

patents stripe