CID 3065745

108734-80-1

Structural Information

Molecular Formula
C22H23N3O5
SMILES
CCOC(=O)C(C)N1C(=O)N=C(C(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H23N3O5/c1-5-30-21(26)14(2)25-22(27)23-19(15-6-10-17(28-3)11-7-15)20(24-25)16-8-12-18(29-4)13-9-16/h6-14H,5H2,1-4H3
InChIKey
IDHLTDILBLXCDR-UHFFFAOYSA-N
Compound name
ethyl 2-[5,6-bis(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.16376 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17104 197.7
[M+Na]+ 432.15298 205.6
[M-H]- 408.15648 203.9
[M+NH4]+ 427.19758 203.6
[M+K]+ 448.12692 201.7
[M+H-H2O]+ 392.16102 185.3
[M+HCOO]- 454.16196 215.5
[M+CH3COO]- 468.17761 225.8
[M+Na-2H]- 430.13843 198.3
[M]+ 409.16321 204.2
[M]- 409.16431 204.2
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.