CID 29211

5,5-bis(2-bromopropyl)barbituric acid

Structural Information

Molecular Formula
C10H14Br2N2O3
SMILES
CC(CC1(C(=O)NC(=O)NC1=O)CC(C)Br)Br
InChI
InChI=1S/C10H14Br2N2O3/c1-5(11)3-10(4-6(2)12)7(15)13-9(17)14-8(10)16/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16,17)
InChIKey
RQSYYEWWVDWYJW-UHFFFAOYSA-N
Compound name
5,5-bis(2-bromopropyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.93713 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.94441 150.9
[M+Na]+ 390.92635 159.7
[M-H]- 366.92985 153.0
[M+NH4]+ 385.97095 166.1
[M+K]+ 406.90029 143.4
[M+H-H2O]+ 350.93439 159.1
[M+HCOO]- 412.93533 159.0
[M+CH3COO]- 426.95098 209.7
[M+Na-2H]- 388.91180 153.9
[M]+ 367.93658 181.8
[M]- 367.93768 181.8
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.