CID 322472

42285-89-2

Structural Information

Molecular Formula
C14H13N5O3
SMILES
CN1C(=O)C2=C(N=NC(=N2)C3=CC=CC=C3)N(C1=O)CCO
InChI
InChI=1S/C14H13N5O3/c1-18-13(21)10-12(19(7-8-20)14(18)22)17-16-11(15-10)9-5-3-2-4-6-9/h2-6,20H,7-8H2,1H3
InChIKey
UFDJAVNADBEGME-UHFFFAOYSA-N
Compound name
8-(2-hydroxyethyl)-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.10184 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10912 171.6
[M+Na]+ 322.09106 184.0
[M-H]- 298.09456 172.4
[M+NH4]+ 317.13566 180.5
[M+K]+ 338.06500 177.3
[M+H-H2O]+ 282.09910 160.6
[M+HCOO]- 344.10004 187.9
[M+CH3COO]- 358.11569 181.9
[M+Na-2H]- 320.07651 178.3
[M]+ 299.10129 174.6
[M]- 299.10239 174.6
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.