CID 393504

Nsc695566

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC1=CN(C(=O)NC1=O)CCCN(C)C
InChI
InChI=1S/C10H17N3O2/c1-8-7-13(6-4-5-12(2)3)10(15)11-9(8)14/h7H,4-6H2,1-3H3,(H,11,14,15)
InChIKey
QDFMJKMSMGFDIC-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.13208 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 145.9
[M+Na]+ 234.12130 155.1
[M-H]- 210.12480 147.5
[M+NH4]+ 229.16590 162.4
[M+K]+ 250.09524 152.8
[M+H-H2O]+ 194.12934 138.4
[M+HCOO]- 256.13028 168.3
[M+CH3COO]- 270.14593 191.5
[M+Na-2H]- 232.10675 150.6
[M]+ 211.13153 148.5
[M]- 211.13263 148.5
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.