CID 3087965

5h-1,3,4-oxadiazolo(3,2-a)(1,3,5)triazine-5,7(6h)-dione, 6-phenyl-2-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C19H16N4O6
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NC(=O)N(C3=O)C4=CC=CC=C4)O2
InChI
InChI=1S/C19H16N4O6/c1-26-13-9-11(10-14(27-2)15(13)28-3)16-21-23-18(29-16)20-17(24)22(19(23)25)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey
LWAIGTQQXBWUDQ-UHFFFAOYSA-N
Compound name
6-phenyl-2-(3,4,5-trimethoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.107 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.11428 191.5
[M+Na]+ 419.09622 204.9
[M-H]- 395.09972 200.0
[M+NH4]+ 414.14082 198.7
[M+K]+ 435.07016 201.4
[M+H-H2O]+ 379.10426 179.9
[M+HCOO]- 441.10520 211.7
[M+CH3COO]- 455.12085 202.8
[M+Na-2H]- 417.08167 195.2
[M]+ 396.10645 202.3
[M]- 396.10755 202.3
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.