CID 3079727

126348-51-4

Structural Information

Molecular Formula
C24H22N2O4
SMILES
COC1=CC=C(C=C1)C(CC=C)C2(C(=O)N(C(=O)N(C2=O)CC#C)CC#C)CC#C
InChI
InChI=1S/C24H22N2O4/c1-6-10-20(18-11-13-19(30-5)14-12-18)24(15-7-2)21(27)25(16-8-3)23(29)26(17-9-4)22(24)28/h2-4,6,11-14,20H,1,10,15-17H2,5H3
InChIKey
FCQKIYNZMUDSGY-UHFFFAOYSA-N
Compound name
5-[1-(4-methoxyphenyl)but-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

402.15796 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.16524 182.1
[M+Na]+ 425.14718 190.3
[M-H]- 401.15068 184.1
[M+NH4]+ 420.19178 186.1
[M+K]+ 441.12112 183.6
[M+H-H2O]+ 385.15522 168.9
[M+HCOO]- 447.15616 182.2
[M+CH3COO]- 461.17181 244.5
[M+Na-2H]- 423.13263 177.4
[M]+ 402.15741 174.5
[M]- 402.15851 174.5
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.