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

23
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 193.2
[M+Na]+ 400.16317 202.0
[M-H]- 376.16667 199.3
[M+NH4]+ 395.20777 200.9
[M+K]+ 416.13711 196.0
[M+H-H2O]+ 360.17121 181.1
[M+HCOO]- 422.17215 211.7
[M+CH3COO]- 436.18780 220.6
[M+Na-2H]- 398.14862 194.6
[M]+ 377.17340 197.6
[M]- 377.17450 197.6
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