CID 95675

63981-31-7

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CCCN1C(=O)C=C(N(C1=O)CC)N
InChI
InChI=1S/C9H15N3O2/c1-3-5-12-8(13)6-7(10)11(4-2)9(12)14/h6H,3-5,10H2,1-2H3
InChIKey
YPSQTTRYMSZAGR-UHFFFAOYSA-N
Compound name
6-amino-1-ethyl-3-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

197.11642 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 141.7
[M+Na]+ 220.10564 152.6
[M-H]- 196.10914 143.3
[M+NH4]+ 215.15024 158.9
[M+K]+ 236.07958 149.7
[M+H-H2O]+ 180.11368 134.7
[M+HCOO]- 242.11462 164.8
[M+CH3COO]- 256.13027 188.2
[M+Na-2H]- 218.09109 146.3
[M]+ 197.11587 144.0
[M]- 197.11697 144.0
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

patents stripe