CID 264548

Nsc99693

Structural Information

Molecular Formula
C19H19NO4
SMILES
CCOC(=O)CC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)O
InChI
InChI=1S/C19H19NO4/c1-2-24-17(21)12-19(23)15-10-6-7-11-16(15)20(18(19)22)13-14-8-4-3-5-9-14/h3-11,23H,2,12-13H2,1H3
InChIKey
UAMHNXIGBXBFPC-UHFFFAOYSA-N
Compound name
ethyl 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

325.1314 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 176.2
[M+Na]+ 348.12062 184.1
[M-H]- 324.12412 181.4
[M+NH4]+ 343.16522 193.0
[M+K]+ 364.09456 179.7
[M+H-H2O]+ 308.12866 168.6
[M+HCOO]- 370.12960 195.4
[M+CH3COO]- 384.14525 204.8
[M+Na-2H]- 346.10607 178.6
[M]+ 325.13085 178.9
[M]- 325.13195 178.9
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.