CID 516613

60445-73-0

Structural Information

Molecular Formula
C15H14N4O3
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C=CN=C3)N=N2
InChI
InChI=1S/C15H14N4O3/c1-20-12-6-9(7-13(21-2)14(12)22-3)15-17-11-8-16-5-4-10(11)18-19-15/h4-8H,1-3H3
InChIKey
GPCPKLSYPBVKCN-UHFFFAOYSA-N
Compound name
3-(3,4,5-trimethoxyphenyl)pyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.1066 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11388 170.3
[M+Na]+ 321.09582 181.1
[M-H]- 297.09932 173.2
[M+NH4]+ 316.14042 181.1
[M+K]+ 337.06976 176.8
[M+H-H2O]+ 281.10386 159.0
[M+HCOO]- 343.10480 188.8
[M+CH3COO]- 357.12045 181.3
[M+Na-2H]- 319.08127 177.9
[M]+ 298.10605 175.9
[M]- 298.10715 175.9
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.