CID 76434

3038-25-3

Structural Information

Molecular Formula
C16H21N3O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)N(CC)CC
InChI
InChI=1S/C16H21N3O3/c1-4-16(13(20)17-15(22)18-14(16)21)11-7-9-12(10-8-11)19(5-2)6-3/h7-10H,4-6H2,1-3H3,(H2,17,18,20,21,22)
InChIKey
CKCSVBLIFTUCFH-UHFFFAOYSA-N
Compound name
5-[4-(diethylamino)phenyl]-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.165576 171.0
[M+Na]+ 326.147518 177.4
[M-H]- 302.151024 173.5
[M+NH4]+ 321.192123 184.3
[M+K]+ 342.121458 173.4
[M+H-H2O]+ 286.155560 162.9
[M+HCOO]- 348.156501 187.4
[M+CH3COO]- 362.172151 206.0
[M+Na-2H]- 324.132966 172.5
[M]+ 303.15775142 168.5
[M]- 303.15884858 168.5
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

No patent data available for this compound.