CID 2113051

743442-00-4

Structural Information

Molecular Formula
C10H18N4O3
SMILES
CCCN1C(=C(C(=O)NC1=O)NCCOC)N
InChI
InChI=1S/C10H18N4O3/c1-3-5-14-8(11)7(12-4-6-17-2)9(15)13-10(14)16/h12H,3-6,11H2,1-2H3,(H,13,15,16)
InChIKey
FNKOPJKYVHMAFV-UHFFFAOYSA-N
Compound name
6-amino-5-(2-methoxyethylamino)-1-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1379 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14518 153.8
[M+Na]+ 265.12712 162.7
[M-H]- 241.13062 153.7
[M+NH4]+ 260.17172 167.9
[M+K]+ 281.10106 159.2
[M+H-H2O]+ 225.13516 146.0
[M+HCOO]- 287.13610 176.3
[M+CH3COO]- 301.15175 196.3
[M+Na-2H]- 263.11257 157.7
[M]+ 242.13735 155.1
[M]- 242.13845 155.1
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.