CID 15956440

Chembl207533

Structural Information

Molecular Formula
C17H14BrNO2
SMILES
C1C(C12C3=C(C=CC(=C3)Br)NC2=O)COC4=CC=CC=C4
InChI
InChI=1S/C17H14BrNO2/c18-12-6-7-15-14(8-12)17(16(20)19-15)9-11(17)10-21-13-4-2-1-3-5-13/h1-8,11H,9-10H2,(H,19,20)
InChIKey
PDEPHVGNADLLMU-UHFFFAOYSA-N
Compound name
5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

343.02078 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.02806 174.8
[M+Na]+ 366.01000 188.8
[M-H]- 342.01350 185.2
[M+NH4]+ 361.05460 190.7
[M+K]+ 381.98394 175.9
[M+H-H2O]+ 326.01804 174.7
[M+HCOO]- 388.01898 192.9
[M+CH3COO]- 402.03463 187.9
[M+Na-2H]- 363.99545 180.2
[M]+ 343.02023 195.0
[M]- 343.02133 195.0
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

patents stripe