CID 482830

2-[(3-bromo-2-(2-pyridyl)indolyl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C18H17BrN2O3
SMILES
CC(=O)OCCOCN1C2=CC=CC=C2C(=C1C3=CC=CC=N3)Br
InChI
InChI=1S/C18H17BrN2O3/c1-13(22)24-11-10-23-12-21-16-8-3-2-6-14(16)17(19)18(21)15-7-4-5-9-20-15/h2-9H,10-12H2,1H3
InChIKey
JYGHQFSRRDDTHZ-UHFFFAOYSA-N
Compound name
2-[(3-bromo-2-pyridin-2-ylindol-1-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.04224 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.04952 182.4
[M+Na]+ 411.03146 194.3
[M-H]- 387.03496 190.3
[M+NH4]+ 406.07606 198.0
[M+K]+ 427.00540 182.8
[M+H-H2O]+ 371.03950 180.0
[M+HCOO]- 433.04044 202.0
[M+CH3COO]- 447.05609 213.6
[M+Na-2H]- 409.01691 187.1
[M]+ 388.04169 206.9
[M]- 388.04279 206.9
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.