CID 11975802

1,3-dibenzyl-5-(bromomethyl)-6-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H19BrN2O2
SMILES
CC1=C(C(=O)N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)CBr
InChI
InChI=1S/C20H19BrN2O2/c1-15-18(12-21)19(24)23(14-17-10-6-3-7-11-17)20(25)22(15)13-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3
InChIKey
SIGNUMVZFSLUMO-UHFFFAOYSA-N
Compound name
1,3-dibenzyl-5-(bromomethyl)-6-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.063 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.07028 183.9
[M+Na]+ 421.05222 196.1
[M-H]- 397.05572 193.6
[M+NH4]+ 416.09682 196.4
[M+K]+ 437.02616 182.5
[M+H-H2O]+ 381.06026 180.2
[M+HCOO]- 443.06120 202.9
[M+CH3COO]- 457.07685 217.6
[M+Na-2H]- 419.03767 188.3
[M]+ 398.06245 204.9
[M]- 398.06355 204.9
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.