CID 54595790

1-(3-aminophenyl)-1,3-diazinan-2-one

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1CNC(=O)N(C1)C2=CC=CC(=C2)N
InChI
InChI=1S/C10H13N3O/c11-8-3-1-4-9(7-8)13-6-2-5-12-10(13)14/h1,3-4,7H,2,5-6,11H2,(H,12,14)
InChIKey
OPIJUYDJXPTMIM-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.10587 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 142.5
[M+Na]+ 214.09509 154.3
[M+NH4]+ 209.13969 150.1
[M+K]+ 230.06903 148.3
[M-H]- 190.09859 145.4
[M+Na-2H]- 212.08054 149.2
[M]+ 191.10532 144.7
[M]- 191.10642 144.7
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.