CID 4516860

Brn 5651096

Structural Information

Molecular Formula
C22H19N5O2
SMILES
CC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C5=CC=CC=C5)N(C(=O)N(C4=O)C)C
InChI
InChI=1S/C22H19N5O2/c1-14-9-11-15(12-10-14)17-13-26-18-19(24(2)22(29)25(3)20(18)28)23-21(26)27(17)16-7-5-4-6-8-16/h4-13H,1-3H3
InChIKey
FCMYGUDSBVUMFK-UHFFFAOYSA-N
Compound name
2,4-dimethyl-7-(4-methylphenyl)-6-phenylpurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.15387 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.161146 196.2
[M+Na]+ 408.143088 211.9
[M-H]- 384.146594 204.7
[M+NH4]+ 403.187693 207.3
[M+K]+ 424.117028 203.3
[M+H-H2O]+ 368.151130 185.3
[M+HCOO]- 430.152071 216.2
[M+CH3COO]- 444.167721 207.6
[M+Na-2H]- 406.128536 196.9
[M]+ 385.15332142 204.1
[M]- 385.15441858 204.1
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.