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]+ 298.118606 166.5
[M+Na]+ 320.100548 177.4
[M-H]- 296.104054 175.2
[M+NH4]+ 315.145153 178.6
[M+K]+ 336.074488 175.1
[M+H-H2O]+ 280.108590 157.8
[M+HCOO]- 342.109531 188.6
[M+CH3COO]- 356.125181 179.4
[M+Na-2H]- 318.085996 168.6
[M]+ 297.11078142 172.7
[M]- 297.11187858 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.