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]+ 304.165576 172.2
[M+Na]+ 326.147518 178.6
[M-H]- 302.151024 173.3
[M+NH4]+ 321.192123 185.0
[M+K]+ 342.121458 173.1
[M+H-H2O]+ 286.155560 164.2
[M+HCOO]- 348.156501 188.2
[M+CH3COO]- 362.172151 202.2
[M+Na-2H]- 324.132966 174.4
[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

literature stripe

Patent stripe

No patent data available for this compound.