CID 135449728

Nsc341890

Structural Information

Molecular Formula
C7H10IN3O
SMILES
CCCC1=C(C(=O)NC(=N1)N)I
InChI
InChI=1S/C7H10IN3O/c1-2-3-4-5(8)6(12)11-7(9)10-4/h2-3H2,1H3,(H3,9,10,11,12)
InChIKey
RGURAHSIPOAYBW-UHFFFAOYSA-N
Compound name
2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

278.98685 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.99413 145.8
[M+Na]+ 301.97607 148.4
[M-H]- 277.97957 138.9
[M+NH4]+ 297.02067 158.1
[M+K]+ 317.95001 150.8
[M+H-H2O]+ 261.98411 135.4
[M+HCOO]- 323.98505 162.3
[M+CH3COO]- 338.00070 188.5
[M+Na-2H]- 299.96152 138.9
[M]+ 278.98630 141.8
[M]- 278.98740 141.8
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.