CID 3044344

Brn 1515226

Structural Information

Molecular Formula
C25H22ClNO4
SMILES
CC(C)(C(=O)OC1C2=CC=CC=C2NC1=O)OC3=CC=C(C=C3)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H22ClNO4/c1-25(2,24(29)30-22-20-5-3-4-6-21(20)27-23(22)28)31-19-13-9-17(10-14-19)15-16-7-11-18(26)12-8-16/h3-14,22H,15H2,1-2H3,(H,27,28)
InChIKey
RKSQPBNPITZXGI-UHFFFAOYSA-N
Compound name
(2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.12375 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.131026 205.3
[M+Na]+ 458.112968 212.5
[M-H]- 434.116474 213.3
[M+NH4]+ 453.157573 216.0
[M+K]+ 474.086908 205.6
[M+H-H2O]+ 418.121010 196.4
[M+HCOO]- 480.121951 217.2
[M+CH3COO]- 494.137601 224.4
[M+Na-2H]- 456.098416 205.4
[M]+ 435.12320142 209.2
[M]- 435.12429858 209.2
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.