CID 29880

Brn 1180495

Structural Information

Molecular Formula
C17H21Br2N3O3
SMILES
CC1(C(=O)N(C(=O)N1)CN2CCOCC2)C(C(C3=CC=CC=C3)Br)Br
InChI
InChI=1S/C17H21Br2N3O3/c1-17(14(19)13(18)12-5-3-2-4-6-12)15(23)22(16(24)20-17)11-21-7-9-25-10-8-21/h2-6,13-14H,7-11H2,1H3,(H,20,24)
InChIKey
JVQNTSHIWRQAHD-UHFFFAOYSA-N
Compound name
5-(1,2-dibromo-2-phenylethyl)-5-methyl-3-(morpholin-4-ylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.99496 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.00224 191.2
[M+Na]+ 495.98418 183.8
[M+NH4]+ 491.02878 191.6
[M+K]+ 511.95812 190.6
[M-H]- 471.98768 191.9
[M+Na-2H]- 493.96963 190.1
[M]+ 472.99441 189.2
[M]- 472.99551 189.2
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.