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

10
Patents

205.1215 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.128776 147.0
[M+Na]+ 228.110718 154.2
[M-H]- 204.114224 150.4
[M+NH4]+ 223.155323 162.9
[M+K]+ 244.084658 150.7
[M+H-H2O]+ 188.118760 138.5
[M+HCOO]- 250.119701 166.2
[M+CH3COO]- 264.135351 188.2
[M+Na-2H]- 226.096166 150.9
[M]+ 205.12095142 142.0
[M]- 205.12204858 142.0
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