CID 3055720

72773-88-7

Structural Information

Molecular Formula
C23H27ClFNO4
SMILES
CCCCOCCOC(=O)CCCN=C(C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C23H27ClFNO4/c1-2-3-13-29-14-15-30-22(28)5-4-12-26-23(17-6-8-18(24)9-7-17)20-16-19(25)10-11-21(20)27/h6-11,16,27H,2-5,12-15H2,1H3
InChIKey
FZTLOQHVDWWOGL-UHFFFAOYSA-N
Compound name
2-butoxyethyl 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.16125 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.16853 204.3
[M+Na]+ 458.15047 209.4
[M-H]- 434.15397 208.6
[M+NH4]+ 453.19507 214.4
[M+K]+ 474.12441 203.6
[M+H-H2O]+ 418.15851 194.7
[M+HCOO]- 480.15945 220.3
[M+CH3COO]- 494.17510 230.3
[M+Na-2H]- 456.13592 202.5
[M]+ 435.16070 211.2
[M]- 435.16180 211.2
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.