CID 357977

109317-93-3

Structural Information

Molecular Formula
C23H20N2O3
SMILES
C=CCC(C1=CC=CC=C1)C2(C(=O)N(C(=O)N(C2=O)CC#C)CC#C)CC#C
InChI
InChI=1S/C23H20N2O3/c1-5-12-19(18-13-10-9-11-14-18)23(15-6-2)20(26)24(16-7-3)22(28)25(17-8-4)21(23)27/h2-5,9-11,13-14,19H,1,12,15-17H2
InChIKey
SAHZMSDZVVNQBP-UHFFFAOYSA-N
Compound name
5-(1-phenylbut-3-enyl)-1,3,5-tris(prop-2-ynyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15468 205.7
[M+Na]+ 395.13662 210.7
[M+NH4]+ 390.18122 203.4
[M+K]+ 411.11056 201.0
[M-H]- 371.14012 195.4
[M+Na-2H]- 393.12207 201.4
[M]+ 372.14685 202.4
[M]- 372.14795 202.4
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.