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]+ 354.144816 184.4
[M+Na]+ 376.126758 193.8
[M-H]- 352.130264 189.5
[M+NH4]+ 371.171363 192.3
[M+K]+ 392.100698 188.3
[M+H-H2O]+ 336.134800 172.6
[M+HCOO]- 398.135741 203.3
[M+CH3COO]- 412.151391 212.2
[M+Na-2H]- 374.112206 188.0
[M]+ 353.13699142 188.7
[M]- 353.13808858 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.