CID 632880

1,3-dimethyl-7,8-diphenyl-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione

Structural Information

Molecular Formula
C21H17N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C21H17N5O2/c1-23-18-17(19(27)24(2)21(23)28)25-13-16(14-9-5-3-6-10-14)26(20(25)22-18)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKey
QNOZYVNQDBMUMS-UHFFFAOYSA-N
Compound name
2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

371.1382 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14548 190.8
[M+Na]+ 394.12742 206.1
[M-H]- 370.13092 199.1
[M+NH4]+ 389.17202 202.2
[M+K]+ 410.10136 197.7
[M+H-H2O]+ 354.13546 179.8
[M+HCOO]- 416.13640 211.2
[M+CH3COO]- 430.15205 202.4
[M+Na-2H]- 392.11287 192.8
[M]+ 371.13765 197.9
[M]- 371.13875 197.9
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.