CID 28294532

1-(4-aminophenyl)-3-methyl-1,3-diazinan-2-one

Structural Information

Molecular Formula
C11H15N3O
SMILES
CN1CCCN(C1=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H15N3O/c1-13-7-2-8-14(11(13)15)10-5-3-9(12)4-6-10/h3-6H,2,7-8,12H2,1H3
InChIKey
DXYGWLQTBWIHQL-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-3-methyl-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

205.1215 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 146.6
[M+Na]+ 228.11072 159.1
[M+NH4]+ 223.15532 154.4
[M+K]+ 244.08466 152.8
[M-H]- 204.11422 150.0
[M+Na-2H]- 226.09617 153.4
[M]+ 205.12095 149.1
[M]- 205.12205 149.1
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

patents stripe