CID 58526

101564-84-5

Structural Information

Molecular Formula
C17H15BrN2O4
SMILES
COC1=CC=C(C2=CC=CC=C21)CN3C(=O)C(=O)N(C3=O)CCBr
InChI
InChI=1S/C17H15BrN2O4/c1-24-14-7-6-11(12-4-2-3-5-13(12)14)10-20-16(22)15(21)19(9-8-18)17(20)23/h2-7H,8-10H2,1H3
InChIKey
NENWHWMKFIROKX-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-[(4-methoxynaphthalen-1-yl)methyl]imidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0215 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.02878 180.4
[M+Na]+ 413.01072 193.0
[M-H]- 389.01422 188.4
[M+NH4]+ 408.05532 196.3
[M+K]+ 428.98466 181.1
[M+H-H2O]+ 373.01876 178.6
[M+HCOO]- 435.01970 197.7
[M+CH3COO]- 449.03535 215.8
[M+Na-2H]- 410.99617 182.2
[M]+ 390.02095 202.4
[M]- 390.02205 202.4
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.