CID 482828

2-[(3-bromo-2-phenylindolyl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C19H18BrNO3
SMILES
CC(=O)OCCOCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)Br
InChI
InChI=1S/C19H18BrNO3/c1-14(22)24-12-11-23-13-21-17-10-6-5-9-16(17)18(20)19(21)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3
InChIKey
AWZKBHINBHGBHH-UHFFFAOYSA-N
Compound name
2-[(3-bromo-2-phenylindol-1-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.047 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.05428 184.8
[M+Na]+ 410.03622 196.3
[M-H]- 386.03972 193.8
[M+NH4]+ 405.08082 201.7
[M+K]+ 426.01016 184.7
[M+H-H2O]+ 370.04426 182.9
[M+HCOO]- 432.04520 205.3
[M+CH3COO]- 446.06085 213.9
[M+Na-2H]- 408.02167 188.7
[M]+ 387.04645 209.1
[M]- 387.04755 209.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.