CID 135463947

Brn 5625836

Structural Information

Molecular Formula
C18H25N3O4
SMILES
CCC1(C(=NCCC2=CC(=C(C=C2)OC)OC)NC(=O)NC1=O)CC
InChI
InChI=1S/C18H25N3O4/c1-5-18(6-2)15(20-17(23)21-16(18)22)19-10-9-12-7-8-13(24-3)14(11-12)25-4/h7-8,11H,5-6,9-10H2,1-4H3,(H2,19,20,21,22,23)
InChIKey
XLOOZBSJBIFDQQ-UHFFFAOYSA-N
Compound name
6-[2-(3,4-dimethoxyphenyl)ethylimino]-5,5-diethyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1845 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19178 182.4
[M+Na]+ 370.17372 188.9
[M-H]- 346.17722 184.7
[M+NH4]+ 365.21832 194.2
[M+K]+ 386.14766 184.6
[M+H-H2O]+ 330.18176 173.7
[M+HCOO]- 392.18270 199.3
[M+CH3COO]- 406.19835 214.0
[M+Na-2H]- 368.15917 183.5
[M]+ 347.18395 183.0
[M]- 347.18505 183.0
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.