CID 135406869

1004-75-7

Structural Information

Molecular Formula
C4H7N5O
SMILES
C1(=C(N=C(NC1=O)N)N)N
InChI
InChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)
InChIKey
SYEYEGBZVSWYPK-UHFFFAOYSA-N
Compound name
2,4,5-triamino-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

7969
Patents

141.06506 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.07234 124.6
[M+Na]+ 164.05428 134.3
[M+NH4]+ 159.09888 130.6
[M+K]+ 180.02822 131.4
[M-H]- 140.05778 125.4
[M+Na-2H]- 162.03973 129.3
[M]+ 141.06451 125.6
[M]- 141.06561 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe