CID 15954682

4-[[1-ethoxy-2-(1h-inden-2-yl)-2-oxo-ethyl]amino]benzoic acid

Structural Information

Molecular Formula
C20H19NO4
SMILES
CCOC(C(=O)C1=CC2=CC=CC=C2C1)NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C20H19NO4/c1-2-25-19(21-17-9-7-13(8-10-17)20(23)24)18(22)16-11-14-5-3-4-6-15(14)12-16/h3-11,19,21H,2,12H2,1H3,(H,23,24)
InChIKey
ADQMKDBRUBCDQN-UHFFFAOYSA-N
Compound name
4-[[1-ethoxy-2-(1H-inden-2-yl)-2-oxoethyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.1314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 178.9
[M+Na]+ 360.12062 183.6
[M-H]- 336.12412 185.0
[M+NH4]+ 355.16522 193.5
[M+K]+ 376.09456 180.1
[M+H-H2O]+ 320.12866 171.2
[M+HCOO]- 382.12960 199.4
[M+CH3COO]- 396.14525 211.6
[M+Na-2H]- 358.10607 179.6
[M]+ 337.13085 180.2
[M]- 337.13195 180.2
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

patents stripe