CID 166000370

Methyl 6-bromo-1-[2-(tert-butoxy)-2-oxoethyl]-1h-indole-4-carboxylate

Structural Information

Molecular Formula
C16H18BrNO4
SMILES
CC(C)(C)OC(=O)CN1C=CC2=C(C=C(C=C21)Br)C(=O)OC
InChI
InChI=1S/C16H18BrNO4/c1-16(2,3)22-14(19)9-18-6-5-11-12(15(20)21-4)7-10(17)8-13(11)18/h5-8H,9H2,1-4H3
InChIKey
JSCXGJXQPNQBRD-UHFFFAOYSA-N
Compound name
methyl 6-bromo-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.04193 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.04921 178.4
[M+Na]+ 390.03115 190.6
[M-H]- 366.03465 185.0
[M+NH4]+ 385.07575 196.7
[M+K]+ 406.00509 180.4
[M+H-H2O]+ 350.03919 178.0
[M+HCOO]- 412.04013 196.5
[M+CH3COO]- 426.05578 210.6
[M+Na-2H]- 388.01660 182.0
[M]+ 367.04138 203.7
[M]- 367.04248 203.7
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.