CID 53490

76410-22-5

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNC(C)C)O)C3=CC=CC=C3)C
InChI
InChI=1S/C24H30N2O4/c1-5-29-24(28)23-17(4)26(18-9-7-6-8-10-18)22-12-11-20(13-21(22)23)30-15-19(27)14-25-16(2)3/h6-13,16,19,25,27H,5,14-15H2,1-4H3
InChIKey
WIYSTQYESZQTAZ-UHFFFAOYSA-N
Compound name
ethyl 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-methyl-1-phenylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

410.22055 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22783 202.0
[M+Na]+ 433.20977 207.3
[M-H]- 409.21327 207.1
[M+NH4]+ 428.25437 213.1
[M+K]+ 449.18371 203.5
[M+H-H2O]+ 393.21781 193.0
[M+HCOO]- 455.21875 220.9
[M+CH3COO]- 469.23440 228.3
[M+Na-2H]- 431.19522 200.2
[M]+ 410.22000 208.0
[M]- 410.22110 208.0
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