CID 120544

1037-97-4

Structural Information

Molecular Formula
C15H19N3O4
SMILES
CN(C)CCC1(C(=O)NC(=O)NC1=O)C2=CC(=CC=C2)OC
InChI
InChI=1S/C15H19N3O4/c1-18(2)8-7-15(10-5-4-6-11(9-10)22-3)12(19)16-14(21)17-13(15)20/h4-6,9H,7-8H2,1-3H3,(H2,16,17,19,20,21)
InChIKey
WCDVVSKBBFWNJF-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

305.13754 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.144816 169.2
[M+Na]+ 328.126758 175.9
[M-H]- 304.130264 171.8
[M+NH4]+ 323.171363 182.3
[M+K]+ 344.100698 172.7
[M+H-H2O]+ 288.134800 161.1
[M+HCOO]- 350.135741 186.2
[M+CH3COO]- 364.151391 205.3
[M+Na-2H]- 326.112206 171.4
[M]+ 305.13699142 167.9
[M]- 305.13808858 167.9
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