CID 3025650

104775-07-7

Structural Information

Molecular Formula
C19H19ClFNO3
SMILES
CC(CCC(=O)OC)N=C(C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C19H19ClFNO3/c1-12(3-10-18(24)25-2)22-19(13-4-6-14(20)7-5-13)16-11-15(21)8-9-17(16)23/h4-9,11-12,23H,3,10H2,1-2H3
InChIKey
LHVYBIOAFGDBIA-UHFFFAOYSA-N
Compound name
methyl 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.10376 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11104 182.9
[M+Na]+ 386.09298 189.8
[M-H]- 362.09648 188.2
[M+NH4]+ 381.13758 196.1
[M+K]+ 402.06692 184.7
[M+H-H2O]+ 346.10102 174.7
[M+HCOO]- 408.10196 199.2
[M+CH3COO]- 422.11761 217.5
[M+Na-2H]- 384.07843 182.0
[M]+ 363.10321 186.5
[M]- 363.10431 186.5
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.