CID 245284

Un78sj0scb

Structural Information

Molecular Formula
C12H12N4O3
SMILES
CC1=CC(=CC=C1)N(C=O)C2=C(N=C(NC2=O)N)O
InChI
InChI=1S/C12H12N4O3/c1-7-3-2-4-8(5-7)16(6-17)9-10(18)14-12(13)15-11(9)19/h2-6H,1H3,(H4,13,14,15,18,19)
InChIKey
VOGRAVXTNYGDIE-UHFFFAOYSA-N
Compound name
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.09094 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09822 157.1
[M+Na]+ 283.08016 166.1
[M-H]- 259.08366 160.6
[M+NH4]+ 278.12476 169.8
[M+K]+ 299.05410 162.1
[M+H-H2O]+ 243.08820 148.3
[M+HCOO]- 305.08914 179.4
[M+CH3COO]- 319.10479 199.1
[M+Na-2H]- 281.06561 161.6
[M]+ 260.09039 156.1
[M]- 260.09149 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.