CID 77166782

2887498-05-5

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1CN(C(=O)NC1=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H11N3O2/c11-7-1-3-8(4-2-7)13-6-5-9(14)12-10(13)15/h1-4H,5-6,11H2,(H,12,14,15)
InChIKey
WKQPBPSJVFRTFL-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

205.08513 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 144.8
[M+Na]+ 228.07435 156.4
[M+NH4]+ 223.11895 151.5
[M+K]+ 244.04829 151.1
[M-H]- 204.07785 146.9
[M+Na-2H]- 226.05980 150.7
[M]+ 205.08458 146.7
[M]- 205.08568 146.7
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.