CID 53484

76410-19-0

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNC(C)C)O)C)C
InChI
InChI=1S/C19H28N2O4/c1-6-24-19(23)18-13(4)21(5)17-8-7-15(9-16(17)18)25-11-14(22)10-20-12(2)3/h7-9,12,14,20,22H,6,10-11H2,1-5H3
InChIKey
JPGYZLRNYDOFBZ-UHFFFAOYSA-N
Compound name
ethyl 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1,2-dimethylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

348.2049 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 184.8
[M+Na]+ 371.19412 194.0
[M+NH4]+ 366.23872 189.7
[M+K]+ 387.16806 191.4
[M-H]- 347.19762 184.4
[M+Na-2H]- 369.17957 186.1
[M]+ 348.20435 185.6
[M]- 348.20545 185.6
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