CID 482835

2-[(3-bromo-2-phenyl-indol-1-yl)methoxy]ethanol

Structural Information

Molecular Formula
C17H16BrNO2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2COCCO)Br
InChI
InChI=1S/C17H16BrNO2/c18-16-14-8-4-5-9-15(14)19(12-21-11-10-20)17(16)13-6-2-1-3-7-13/h1-9,20H,10-12H2
InChIKey
STGOIHJLCBJZSI-UHFFFAOYSA-N
Compound name
2-[(3-bromo-2-phenylindol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.03644 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04372 173.7
[M+Na]+ 368.02566 186.0
[M-H]- 344.02916 181.7
[M+NH4]+ 363.07026 191.9
[M+K]+ 383.99960 173.3
[M+H-H2O]+ 328.03370 172.5
[M+HCOO]- 390.03464 194.1
[M+CH3COO]- 404.05029 187.3
[M+Na-2H]- 366.01111 179.4
[M]+ 345.03589 195.7
[M]- 345.03699 195.7
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.