CID 3055681

Brn 1182179

Structural Information

Molecular Formula
C23H23N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN=C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H23N5O2/c1-26-21-20(22(29)27(2)23(26)30)28(16-25-21)15-9-14-24-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3
InChIKey
PVONEWVUMSFVOM-UHFFFAOYSA-N
Compound name
7-[3-(benzhydrylideneamino)propyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.18518 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19246 196.6
[M+Na]+ 424.17440 213.4
[M+NH4]+ 419.21900 202.2
[M+K]+ 440.14834 206.6
[M-H]- 400.17790 201.6
[M+Na-2H]- 422.15985 206.1
[M]+ 401.18463 200.4
[M]- 401.18573 200.4
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.