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

0
Patents

305.13754 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14482 169.2
[M+Na]+ 328.12676 175.9
[M-H]- 304.13026 171.8
[M+NH4]+ 323.17136 182.3
[M+K]+ 344.10070 172.7
[M+H-H2O]+ 288.13480 161.1
[M+HCOO]- 350.13574 186.2
[M+CH3COO]- 364.15139 205.3
[M+Na-2H]- 326.11221 171.4
[M]+ 305.13699 167.9
[M]- 305.13809 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