CID 2838144

120342-38-3

Structural Information

Molecular Formula
C20H27BrN2O5
SMILES
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)CC(CN3CCOCC3)O)C
InChI
InChI=1S/C20H27BrN2O5/c1-4-28-20(25)19-13(2)23(12-14(24)11-22-5-7-27-8-6-22)17-10-16(21)18(26-3)9-15(17)19/h9-10,14,24H,4-8,11-12H2,1-3H3
InChIKey
YUSYRDPYBOFPQQ-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

454.11032 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.11760 201.6
[M+Na]+ 477.09954 210.2
[M-H]- 453.10304 208.0
[M+NH4]+ 472.14414 212.7
[M+K]+ 493.07348 200.5
[M+H-H2O]+ 437.10758 199.2
[M+HCOO]- 499.10852 213.3
[M+CH3COO]- 513.12417 225.3
[M+Na-2H]- 475.08499 200.3
[M]+ 454.10977 224.4
[M]- 454.11087 224.4
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.