CID 3055687

Brn 1182160

Structural Information

Molecular Formula
C23H25N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H25N5O2/c1-25(19(17-10-6-4-7-11-17)18-12-8-5-9-13-18)14-15-28-16-24-21-20(28)22(29)27(3)23(30)26(21)2/h4-13,16,19H,14-15H2,1-3H3
InChIKey
VAESROSQRYCZJT-UHFFFAOYSA-N
Compound name
7-[2-[benzhydryl(methyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.20084 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.20812 199.2
[M+Na]+ 426.19006 208.7
[M-H]- 402.19356 207.0
[M+NH4]+ 421.23466 207.5
[M+K]+ 442.16400 202.3
[M+H-H2O]+ 386.19810 186.7
[M+HCOO]- 448.19904 219.1
[M+CH3COO]- 462.21469 208.7
[M+Na-2H]- 424.17551 201.0
[M]+ 403.20029 204.6
[M]- 403.20139 204.6
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.