CID 24847164

As-triazin-3(2h)-one, 5,6-di-2-furyl-2-(3-methyl-2-butenyl)-

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CC(=CCN1C(=O)N=C(C(=N1)C2=CC=CO2)C3=CC=CO3)C
InChI
InChI=1S/C16H15N3O3/c1-11(2)7-8-19-16(20)17-14(12-5-3-9-21-12)15(18-19)13-6-4-10-22-13/h3-7,9-10H,8H2,1-2H3
InChIKey
CZNKXCCKWCLZTJ-UHFFFAOYSA-N
Compound name
5,6-bis(furan-2-yl)-2-(3-methylbut-2-enyl)-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11133 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 166.5
[M+Na]+ 320.10055 177.4
[M-H]- 296.10405 175.2
[M+NH4]+ 315.14515 178.6
[M+K]+ 336.07449 175.1
[M+H-H2O]+ 280.10859 157.8
[M+HCOO]- 342.10953 188.6
[M+CH3COO]- 356.12518 179.4
[M+Na-2H]- 318.08600 168.6
[M]+ 297.11078 172.7
[M]- 297.11188 172.7
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.