CID 3044345

Brn 0457134

Structural Information

Molecular Formula
C23H20ClNO5
SMILES
C1=CC(=CN=C1)C(=O)OCCOC(=O)COC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H20ClNO5/c24-20-7-3-17(4-8-20)14-18-5-9-21(10-6-18)30-16-22(26)28-12-13-29-23(27)19-2-1-11-25-15-19/h1-11,15H,12-14,16H2
InChIKey
OZBGARBBGUFDNL-UHFFFAOYSA-N
Compound name
2-[2-[4-[(4-chlorophenyl)methyl]phenoxy]acetyl]oxyethyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.103 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.11028 198.5
[M+Na]+ 448.09222 204.3
[M-H]- 424.09572 206.0
[M+NH4]+ 443.13682 206.8
[M+K]+ 464.06616 199.2
[M+H-H2O]+ 408.10026 187.6
[M+HCOO]- 470.10120 214.4
[M+CH3COO]- 484.11685 222.2
[M+Na-2H]- 446.07767 200.2
[M]+ 425.10245 205.6
[M]- 425.10355 205.6
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.