CID 249646

Fervenulin

Structural Information

Molecular Formula

C₇H₇N₅O₂

SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN=N2

InChI

InChI=1S/C7H7N5O2/c1-11-5-4(8-3-9-10-5)6(13)12(2)7(11)14/h3H,1-2H3

InChIKey

RRTKVYSLIGQWCO-UHFFFAOYSA-N

Compound name

6,8-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 88
Patents: 193.05997 Da
Monoisotopic Mass: -1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	194.06725	139.9
[M+Na]+	216.04919	155.5
[M+NH4]+	211.09379	145.7
[M+K]+	232.02313	150.2
[M-H]-	192.05269	138.9
[M+Na-2H]-	214.03464	145.9
[M]+	193.05942	141.7
[M]-	193.06052	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe