CID 493122

Chembl263676

Structural Information

Molecular Formula
C20H25BrN4O2
SMILES
C1CN(C(=O)N1CCCCCCCOC2=CC=C(C=C2)Br)C3=NC=NC=C3
InChI
InChI=1S/C20H25BrN4O2/c21-17-6-8-18(9-7-17)27-15-5-3-1-2-4-12-24-13-14-25(20(24)26)19-10-11-22-16-23-19/h6-11,16H,1-5,12-15H2
InChIKey
KZUPEJNGQJEONP-UHFFFAOYSA-N
Compound name
1-[7-(4-bromophenoxy)heptyl]-3-pyrimidin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.1161 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.12338 194.0
[M+Na]+ 455.10532 202.5
[M-H]- 431.10882 200.0
[M+NH4]+ 450.14992 203.9
[M+K]+ 471.07926 189.6
[M+H-H2O]+ 415.11336 189.3
[M+HCOO]- 477.11430 208.7
[M+CH3COO]- 491.12995 221.3
[M+Na-2H]- 453.09077 195.5
[M]+ 432.11555 214.1
[M]- 432.11665 214.1
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

No patent data available for this compound.