CID 389516

Nsc685807

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C1=CC(=CC=C1CC2=C(NC(=O)NC2=O)N)N
InChI
InChI=1S/C11H12N4O2/c12-7-3-1-6(2-4-7)5-8-9(13)14-11(17)15-10(8)16/h1-4H,5,12H2,(H4,13,14,15,16,17)
InChIKey
BDDDMPONZRBSHW-UHFFFAOYSA-N
Compound name
6-amino-5-[(4-aminophenyl)methyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09602 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 151.1
[M+Na]+ 255.08524 160.7
[M-H]- 231.08874 152.9
[M+NH4]+ 250.12984 164.3
[M+K]+ 271.05918 154.4
[M+H-H2O]+ 215.09328 143.0
[M+HCOO]- 277.09422 172.4
[M+CH3COO]- 291.10987 190.2
[M+Na-2H]- 253.07069 155.7
[M]+ 232.09547 146.2
[M]- 232.09657 146.2
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.