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 181.2
[M+Na]+ 395.13662 189.4
[M-H]- 371.14012 183.2
[M+NH4]+ 390.18122 185.6
[M+K]+ 411.11056 182.2
[M+H-H2O]+ 355.14466 167.9
[M+HCOO]- 417.14560 181.3
[M+CH3COO]- 431.16125 242.2
[M+Na-2H]- 393.12207 176.7
[M]+ 372.14685 172.8
[M]- 372.14795 172.8
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.