CID 114926

5122-36-1

Structural Information

Molecular Formula
C5H7N5O
SMILES
C1=NC(=C(C(=N1)N)NC=O)N
InChI
InChI=1S/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9)
InChIKey
MVYUVUOSXNYQLL-UHFFFAOYSA-N
Compound name
N-(4,6-diaminopyrimidin-5-yl)formamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

68
References

444
Patents

153.06506 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.072336 128.8
[M+Na]+ 176.054278 137.6
[M-H]- 152.057784 129.8
[M+NH4]+ 171.098883 146.1
[M+K]+ 192.028218 135.3
[M+H-H2O]+ 136.062320 121.2
[M+HCOO]- 198.063261 154.3
[M+CH3COO]- 212.078911 181.9
[M+Na-2H]- 174.039726 136.7
[M]+ 153.06451142 125.6
[M]- 153.06560858 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