CID 201030

Gd 048

Structural Information

Molecular Formula

C₉H₁₂N₄O₃

SMILES

CC1(N=C2C(=NO1)C(=O)N(C(=O)N2C)C)C

InChI

InChI=1S/C9H12N4O3/c1-9(2)10-6-5(11-16-9)7(14)13(4)8(15)12(6)3/h1-4H3

InChIKey

CNCOTSTZKUJVRS-UHFFFAOYSA-N

Compound name

3,3,5,7-tetramethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 224.09094 Da
Monoisotopic Mass: 0.1
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]+	225.09822	145.9
[M+Na]+	247.08016	161.0
[M-H]-	223.08366	147.7
[M+NH4]+	242.12476	161.6
[M+K]+	263.05410	159.0
[M+H-H2O]+	207.08820	137.9
[M+HCOO]-	269.08914	164.8
[M+CH3COO]-	283.10479	190.5
[M+Na-2H]-	245.06561	155.2
[M]+	224.09039	152.4
[M]-	224.09149	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe