CID 3069203

St 791

Structural Information

Molecular Formula
C19H19N3O4
SMILES
COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)CCO
InChI
InChI=1S/C19H19N3O4/c1-25-15-7-3-13(4-8-15)17-18(14-5-9-16(26-2)10-6-14)21-22(11-12-23)19(24)20-17/h3-10,23H,11-12H2,1-2H3
InChIKey
MGMNJJPFKAFENC-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyl)-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

353.13754 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14482 184.4
[M+Na]+ 376.12676 193.8
[M-H]- 352.13026 189.5
[M+NH4]+ 371.17136 192.3
[M+K]+ 392.10070 188.3
[M+H-H2O]+ 336.13480 172.6
[M+HCOO]- 398.13574 203.3
[M+CH3COO]- 412.15139 212.2
[M+Na-2H]- 374.11221 188.0
[M]+ 353.13699 188.7
[M]- 353.13809 188.7
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.