CID 13383649

1h-imidazo(2,1-f)purine-2,4(3h,8h)-dione, 7-(4-methylphenyl)-1,3,8-trimethyl-

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C)N(C(=O)N(C4=O)C)C
InChI
InChI=1S/C17H17N5O2/c1-10-5-7-11(8-6-10)12-9-22-13-14(18-16(22)19(12)2)20(3)17(24)21(4)15(13)23/h5-9H,1-4H3
InChIKey
KDICPVVWHKVHMD-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1382 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 178.5
[M+Na]+ 346.12742 195.5
[M-H]- 322.13092 184.2
[M+NH4]+ 341.17202 193.0
[M+K]+ 362.10136 188.5
[M+H-H2O]+ 306.13546 169.6
[M+HCOO]- 368.13640 199.3
[M+CH3COO]- 382.15205 191.5
[M+Na-2H]- 344.11287 180.0
[M]+ 323.13765 187.6
[M]- 323.13875 187.6
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.