CID 3038940

Propanoic acid, 2-(4-(4-chlorobenzoyl)phenoxy)-2-methyl-, 3-pyridinylmethyl ester, hydrochloride

Structural Information

Molecular Formula
C23H20ClNO4
SMILES
CC(C)(C(=O)OCC1=CN=CC=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H20ClNO4/c1-23(2,22(27)28-15-16-4-3-13-25-14-16)29-20-11-7-18(8-12-20)21(26)17-5-9-19(24)10-6-17/h3-14H,15H2,1-2H3
InChIKey
MUCUVDQFMMXYGA-UHFFFAOYSA-N
Compound name
pyridin-3-ylmethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.1081 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11538 196.0
[M+Na]+ 432.09732 211.5
[M+NH4]+ 427.14192 202.5
[M+K]+ 448.07126 203.8
[M-H]- 408.10082 200.6
[M+Na-2H]- 430.08277 206.0
[M]+ 409.10755 200.0
[M]- 409.10865 200.0
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.