CID 11406021

Stl604744

Structural Information

Molecular Formula
C15H17BrN2O4
SMILES
CC1=CC=C(C=C1)OCCOCN2C(=C(C(=O)NC2=O)Br)C
InChI
InChI=1S/C15H17BrN2O4/c1-10-3-5-12(6-4-10)22-8-7-21-9-18-11(2)13(16)14(19)17-15(18)20/h3-6H,7-9H2,1-2H3,(H,17,19,20)
InChIKey
LLXXEEZVLTZPEO-UHFFFAOYSA-N
Compound name
5-bromo-6-methyl-1-[2-(4-methylphenoxy)ethoxymethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.03717 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04445 170.4
[M+Na]+ 391.02639 183.0
[M-H]- 367.02989 176.4
[M+NH4]+ 386.07099 183.9
[M+K]+ 407.00033 170.6
[M+H-H2O]+ 351.03443 167.8
[M+HCOO]- 413.03537 188.8
[M+CH3COO]- 427.05102 209.3
[M+Na-2H]- 389.01184 175.1
[M]+ 368.03662 193.4
[M]- 368.03772 193.4
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.