CID 58527

101564-85-6

Structural Information

Molecular Formula
C16H13BrN2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C(=O)N(C3=O)CCBr
InChI
InChI=1S/C16H13BrN2O3/c17-8-9-18-14(20)15(21)19(16(18)22)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2
InChIKey
CBDDXKCBLPAKTG-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.01096 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.01824 174.0
[M+Na]+ 383.00018 186.5
[M-H]- 359.00368 181.8
[M+NH4]+ 378.04478 190.9
[M+K]+ 398.97412 174.1
[M+H-H2O]+ 343.00822 172.3
[M+HCOO]- 405.00916 191.5
[M+CH3COO]- 419.02481 209.8
[M+Na-2H]- 380.98563 176.8
[M]+ 360.01041 194.0
[M]- 360.01151 194.0
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.