CID 322528

51445-47-7

Structural Information

Molecular Formula
C22H20N4O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N=C(C(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H20N4O4/c1-25-20-19(21(27)26(2)22(25)28)23-17(13-5-9-15(29-3)10-6-13)18(24-20)14-7-11-16(30-4)12-8-14/h5-12H,1-4H3
InChIKey
KRHBJPIICLTYIE-UHFFFAOYSA-N
Compound name
6,7-bis(4-methoxyphenyl)-1,3-dimethylpteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.14847 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15575 202.0
[M+Na]+ 427.13769 214.3
[M-H]- 403.14119 208.7
[M+NH4]+ 422.18229 208.4
[M+K]+ 443.11163 207.7
[M+H-H2O]+ 387.14573 188.7
[M+HCOO]- 449.14667 219.2
[M+CH3COO]- 463.16232 211.5
[M+Na-2H]- 425.12314 204.9
[M]+ 404.14792 208.4
[M]- 404.14902 208.4
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

No patent data available for this compound.