CID 11971463

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

Structural Information

Molecular Formula
C21H19N3O3
SMILES
COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)/C=C/C=C
InChI
InChI=1S/C21H19N3O3/c1-4-5-14-24-21(25)22-19(15-6-10-17(26-2)11-7-15)20(23-24)16-8-12-18(27-3)13-9-16/h4-14H,1H2,2-3H3/b14-5+
InChIKey
STYFIPMRGJZRDQ-LHHJGKSTSA-N
Compound name
2-[(1E)-buta-1,3-dienyl]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.14264 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.149916 188.3
[M+Na]+ 384.131858 198.2
[M-H]- 360.135364 194.5
[M+NH4]+ 379.176463 196.6
[M+K]+ 400.105798 191.2
[M+H-H2O]+ 344.139900 176.2
[M+HCOO]- 406.140841 208.3
[M+CH3COO]- 420.156491 216.2
[M+Na-2H]- 382.117306 191.3
[M]+ 361.14209142 192.2
[M]- 361.14318858 192.2
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

No patent data available for this compound.