CID 3049076

Brn 1170363

Structural Information

Molecular Formula
C16H16N4O3
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C(=O)N(C(=O)N3C)C)C
InChI
InChI=1S/C16H16N4O3/c1-9-7-5-6-8-11(9)20-10(2)17-13-12(15(20)22)14(21)19(4)16(23)18(13)3/h5-8H,1-4H3
InChIKey
OSBGYCZJHJEWGF-UHFFFAOYSA-N
Compound name
1,3,7-trimethyl-6-(2-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12225 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12953 174.7
[M+Na]+ 335.11147 189.5
[M-H]- 311.11497 179.0
[M+NH4]+ 330.15607 186.0
[M+K]+ 351.08541 183.3
[M+H-H2O]+ 295.11951 164.4
[M+HCOO]- 357.12045 193.2
[M+CH3COO]- 371.13610 210.8
[M+Na-2H]- 333.09692 178.5
[M]+ 312.12170 180.2
[M]- 312.12280 180.2
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.