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]+ 436.13103 205.3
[M+Na]+ 458.11297 212.5
[M-H]- 434.11647 213.3
[M+NH4]+ 453.15757 216.0
[M+K]+ 474.08691 205.6
[M+H-H2O]+ 418.12101 196.4
[M+HCOO]- 480.12195 217.2
[M+CH3COO]- 494.13760 224.4
[M+Na-2H]- 456.09842 205.4
[M]+ 435.12320 209.2
[M]- 435.12430 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.