CID 3065747

108734-84-5

Structural Information

Molecular Formula
C24H27N3O5
SMILES
CCCC(C(=O)OCC)N1C(=O)N=C(C(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H27N3O5/c1-5-7-20(23(28)32-6-2)27-24(29)25-21(16-8-12-18(30-3)13-9-16)22(26-27)17-10-14-19(31-4)15-11-17/h8-15,20H,5-7H2,1-4H3
InChIKey
JJHQDDANPWIGKU-UHFFFAOYSA-N
Compound name
ethyl 2-[5,6-bis(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.19507 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.20235 206.0
[M+Na]+ 460.18429 220.8
[M+NH4]+ 455.22889 209.8
[M+K]+ 476.15823 214.3
[M-H]- 436.18779 209.1
[M+Na-2H]- 458.16974 213.5
[M]+ 437.19452 208.9
[M]- 437.19562 208.9
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.