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

0
Patents

289.14264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14992 167.0
[M+Na]+ 312.13186 172.9
[M-H]- 288.13536 169.2
[M+NH4]+ 307.17646 180.5
[M+K]+ 328.10580 169.0
[M+H-H2O]+ 272.13990 158.7
[M+HCOO]- 334.14084 183.7
[M+CH3COO]- 348.15649 201.7
[M+Na-2H]- 310.11731 169.7
[M]+ 289.14209 163.7
[M]- 289.14319 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