CID 3062307

1,2,4-triazin-3(2h)-one, 5,6-bis(4-methoxyphenyl)-2-(3-oxopentyl)-

Structural Information

Molecular Formula
C22H23N3O4
SMILES
CCC(=O)CCN1C(=O)N=C(C(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H23N3O4/c1-4-17(26)13-14-25-22(27)23-20(15-5-9-18(28-2)10-6-15)21(24-25)16-7-11-19(29-3)12-8-16/h5-12H,4,13-14H2,1-3H3
InChIKey
AFBXBMFPZHVGFO-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-2-(3-oxopentyl)-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

393.16885 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.17613 195.3
[M+Na]+ 416.15807 211.4
[M+NH4]+ 411.20267 200.2
[M+K]+ 432.13201 203.9
[M-H]- 392.16157 199.2
[M+Na-2H]- 414.14352 204.1
[M]+ 393.16830 198.7
[M]- 393.16940 198.7
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

patents stripe