CID 3069202

St 777

Structural Information

Molecular Formula
C21H21N3O4
SMILES
COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)CCOC=C
InChI
InChI=1S/C21H21N3O4/c1-4-28-14-13-24-21(25)22-19(15-5-9-17(26-2)10-6-15)20(23-24)16-7-11-18(27-3)12-8-16/h4-12H,1,13-14H2,2-3H3
InChIKey
NCKFCKUIXQRHOL-UHFFFAOYSA-N
Compound name
2-(2-ethenoxyethyl)-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

379.1532 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16048 191.9
[M+Na]+ 402.14242 201.0
[M-H]- 378.14592 197.9
[M+NH4]+ 397.18702 199.3
[M+K]+ 418.11636 195.4
[M+H-H2O]+ 362.15046 179.4
[M+HCOO]- 424.15140 211.7
[M+CH3COO]- 438.16705 219.6
[M+Na-2H]- 400.12787 194.9
[M]+ 379.15265 197.9
[M]- 379.15375 197.9
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.