CID 207911

Brn 0770963

Structural Information

Molecular Formula
C28H34N2O5
SMILES
CCCC(C)C1(C(=O)N(C(=O)N(C1=O)COCC2=CC=CC=C2)COCC3=CC=CC=C3)CC=C
InChI
InChI=1S/C28H34N2O5/c1-4-12-22(3)28(17-5-2)25(31)29(20-34-18-23-13-8-6-9-14-23)27(33)30(26(28)32)21-35-19-24-15-10-7-11-16-24/h5-11,13-16,22H,2,4,12,17-21H2,1,3H3
InChIKey
OWXYSYOQOLUBNR-UHFFFAOYSA-N
Compound name
5-pentan-2-yl-1,3-bis(phenylmethoxymethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

478.24677 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.25405 217.9
[M+Na]+ 501.23599 222.0
[M-H]- 477.23949 223.3
[M+NH4]+ 496.28059 224.0
[M+K]+ 517.20993 216.7
[M+H-H2O]+ 461.24403 205.8
[M+HCOO]- 523.24497 232.2
[M+CH3COO]- 537.26062 239.4
[M+Na-2H]- 499.22144 215.1
[M]+ 478.24622 221.6
[M]- 478.24732 221.6
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

patents stripe