CID 322529

60333-39-3

Structural Information

Molecular Formula
C24H26N6O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N=C(C(=N2)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C24H26N6O2/c1-27(2)17-11-7-15(8-12-17)19-20(16-9-13-18(14-10-16)28(3)4)26-22-21(25-19)23(31)30(6)24(32)29(22)5/h7-14H,1-6H3
InChIKey
IRHSLTKAHVXCDR-UHFFFAOYSA-N
Compound name
6,7-bis[4-(dimethylamino)phenyl]-1,3-dimethylpteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.21173 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.21901 210.9
[M+Na]+ 453.20095 221.4
[M-H]- 429.20445 220.1
[M+NH4]+ 448.24555 217.0
[M+K]+ 469.17489 215.5
[M+H-H2O]+ 413.20899 197.2
[M+HCOO]- 475.20993 230.3
[M+CH3COO]- 489.22558 220.0
[M+Na-2H]- 451.18640 213.1
[M]+ 430.21118 216.7
[M]- 430.21228 216.7
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.