CID 135406112

Brn 5605637

Structural Information

Molecular Formula
C16H21N3O3
SMILES
CCC1(C(=NCCC2=CC=C(C=C2)O)NC(=O)NC1=O)CC
InChI
InChI=1S/C16H21N3O3/c1-3-16(4-2)13(18-15(22)19-14(16)21)17-10-9-11-5-7-12(20)8-6-11/h5-8,20H,3-4,9-10H2,1-2H3,(H2,17,18,19,21,22)
InChIKey
LQCYIDMRLLJZSQ-UHFFFAOYSA-N
Compound name
5,5-diethyl-6-[2-(4-hydroxyphenyl)ethylimino]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

303.1583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16558 172.2
[M+Na]+ 326.14752 178.6
[M-H]- 302.15102 173.3
[M+NH4]+ 321.19212 185.0
[M+K]+ 342.12146 173.1
[M+H-H2O]+ 286.15556 164.2
[M+HCOO]- 348.15650 188.2
[M+CH3COO]- 362.17215 202.2
[M+Na-2H]- 324.13297 174.4
[M]+ 303.15775 168.5
[M]- 303.15885 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

literature stripe

Patent stripe

No patent data available for this compound.