CID 3039620

50884-87-2

Structural Information

Molecular Formula
C21H22N2O4
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)COC)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H22N2O4/c1-3-21(17-12-8-5-9-13-17)18(24)22(14-16-10-6-4-7-11-16)20(26)23(15-27-2)19(21)25/h4-13H,3,14-15H2,1-2H3
InChIKey
BBSUQZIHNMFPSH-UHFFFAOYSA-N
Compound name
1-benzyl-5-ethyl-3-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.15796 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16524 187.2
[M+Na]+ 389.14718 194.9
[M-H]- 365.15068 194.1
[M+NH4]+ 384.19178 198.5
[M+K]+ 405.12112 190.2
[M+H-H2O]+ 349.15522 176.3
[M+HCOO]- 411.15616 204.7
[M+CH3COO]- 425.17181 216.7
[M+Na-2H]- 387.13263 188.8
[M]+ 366.15741 188.5
[M]- 366.15851 188.5
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.