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 185.5
[M+Na]+ 371.19412 192.1
[M-H]- 347.19762 187.8
[M+NH4]+ 366.23872 199.8
[M+K]+ 387.16806 189.6
[M+H-H2O]+ 331.20216 178.2
[M+HCOO]- 393.20310 204.9
[M+CH3COO]- 407.21875 217.7
[M+Na-2H]- 369.17957 183.9
[M]+ 348.20435 192.5
[M]- 348.20545 192.5
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