CID 55825

Indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-(p-methoxyphenyl)-2-(morpholinomethyl)-, ethyl ester, acetate (ester), hydrochloride

Structural Information

Molecular Formula
C25H27BrN2O6
SMILES
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=C(C=C3)OC)CN4CCOCC4
InChI
InChI=1S/C25H27BrN2O6/c1-4-33-25(30)24-19-13-23(34-16(2)29)20(26)14-21(19)28(17-5-7-18(31-3)8-6-17)22(24)15-27-9-11-32-12-10-27/h5-8,13-14H,4,9-12,15H2,1-3H3
InChIKey
LPQVXTZOUHJCLN-UHFFFAOYSA-N
Compound name
ethyl 5-acetyloxy-6-bromo-1-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.1052 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.11248 217.6
[M+Na]+ 553.09442 220.8
[M+NH4]+ 548.13902 218.8
[M+K]+ 569.06836 222.4
[M-H]- 529.09792 220.1
[M+Na-2H]- 551.07987 217.9
[M]+ 530.10465 217.5
[M]- 530.10575 217.5
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

No patent data available for this compound.