CID 122328

133310-38-0

Structural Information

Molecular Formula
C5H7N5O2
SMILES
C(=O)NC1C(=NC(=NC1=O)N)N
InChI
InChI=1S/C5H7N5O2/c6-3-2(8-1-11)4(12)10-5(7)9-3/h1-2H,(H,8,11)(H4,6,7,9,10,12)
InChIKey
GIMRVVLNBSNCLO-UHFFFAOYSA-N
Compound name
N-(2,4-diamino-6-oxo-5H-pyrimidin-5-yl)formamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

65
References

0
Patents

169.05997 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06725 132.6
[M+Na]+ 192.04919 141.4
[M-H]- 168.05269 133.5
[M+NH4]+ 187.09379 149.3
[M+K]+ 208.02313 139.3
[M+H-H2O]+ 152.05723 125.1
[M+HCOO]- 214.05817 157.0
[M+CH3COO]- 228.07382 184.9
[M+Na-2H]- 190.03464 138.7
[M]+ 169.05942 129.0
[M]- 169.06052 129.0
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

No patent data available for this compound.