CID 82070

6-amino-5-formamido-1,3-dimethyluracil

Structural Information

Molecular Formula
C7H10N4O3
SMILES
CN1C(=C(C(=O)N(C1=O)C)NC=O)N
InChI
InChI=1S/C7H10N4O3/c1-10-5(8)4(9-3-12)6(13)11(2)7(10)14/h3H,8H2,1-2H3,(H,9,12)
InChIKey
ZNDGAXCBZGSJGU-UHFFFAOYSA-N
Compound name
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.07529 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08257 138.8
[M+Na]+ 221.06451 150.7
[M-H]- 197.06801 141.1
[M+NH4]+ 216.10911 155.6
[M+K]+ 237.03845 148.1
[M+H-H2O]+ 181.07255 131.7
[M+HCOO]- 243.07349 163.9
[M+CH3COO]- 257.08914 190.0
[M+Na-2H]- 219.04996 144.0
[M]+ 198.07474 140.6
[M]- 198.07584 140.6
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