CID 11971463

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

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]+ 362.14992 187.8
[M+Na]+ 384.13186 205.1
[M+NH4]+ 379.17646 193.3
[M+K]+ 400.10580 196.2
[M-H]- 360.13536 192.1
[M+Na-2H]- 382.11731 197.5
[M]+ 361.14209 191.5
[M]- 361.14319 191.5
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.