CID 135406869

6-hydroxy-2,4,5-triaminopyrimidine

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
4
Annotation Hits

17
References

11124
Patents

141.06506 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.072336 126.6
[M+Na]+ 164.054278 136.5
[M-H]- 140.057784 126.3
[M+NH4]+ 159.098883 143.8
[M+K]+ 180.028218 133.1
[M+H-H2O]+ 124.062320 119.8
[M+HCOO]- 186.063261 150.3
[M+CH3COO]- 200.078911 177.4
[M+Na-2H]- 162.039726 132.6
[M]+ 141.06451142 120.6
[M]- 141.06560858 120.6
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