CID 3062887

St 793

Structural Information

Molecular Formula
C22H23N3O3
SMILES
CC(=CCN1C(=O)N=C(C(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C
InChI
InChI=1S/C22H23N3O3/c1-15(2)13-14-25-22(26)23-20(16-5-9-18(27-3)10-6-16)21(24-25)17-7-11-19(28-4)12-8-17/h5-13H,14H2,1-4H3
InChIKey
ACTBTIOGIHVBQW-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-2-(3-methylbut-2-enyl)-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

377.17395 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18123 192.5
[M+Na]+ 400.16317 209.2
[M+NH4]+ 395.20777 198.0
[M+K]+ 416.13711 201.1
[M-H]- 376.16667 196.9
[M+Na-2H]- 398.14862 201.7
[M]+ 377.17340 196.2
[M]- 377.17450 196.2
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

patents stripe