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

2
Patents

224.09094 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.098216 145.9
[M+Na]+ 247.080158 161.0
[M-H]- 223.083664 147.7
[M+NH4]+ 242.124763 161.6
[M+K]+ 263.054098 159.0
[M+H-H2O]+ 207.088200 137.9
[M+HCOO]- 269.089141 164.8
[M+CH3COO]- 283.104791 190.5
[M+Na-2H]- 245.065606 155.2
[M]+ 224.09039142 152.4
[M]- 224.09148858 152.4
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

patents stripe