CID 121371

1155-93-7

Structural Information

Molecular Formula
C15H19N3O3
SMILES
CN(C)CCCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C15H19N3O3/c1-18(2)10-6-9-15(11-7-4-3-5-8-11)12(19)16-14(21)17-13(15)20/h3-5,7-8H,6,9-10H2,1-2H3,(H2,16,17,19,20,21)
InChIKey
QLSFEXKVWZMFSD-UHFFFAOYSA-N
Compound name
5-[3-(dimethylamino)propyl]-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.14264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.149916 167.0
[M+Na]+ 312.131858 172.9
[M-H]- 288.135364 169.2
[M+NH4]+ 307.176463 180.5
[M+K]+ 328.105798 169.0
[M+H-H2O]+ 272.139900 158.7
[M+HCOO]- 334.140841 183.7
[M+CH3COO]- 348.156491 201.7
[M+Na-2H]- 310.117306 169.7
[M]+ 289.14209142 163.7
[M]- 289.14318858 163.7
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

patents stripe