CID 100672

Brn 1180047

Structural Information

Molecular Formula
C22H23N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H23N5O2/c1-25-20-19(21(28)26(2)22(25)29)27(15-24-20)14-13-23-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,23H,13-14H2,1-2H3
InChIKey
WZOSCNGIFBVLPA-UHFFFAOYSA-N
Compound name
7-[2-(benzhydrylamino)ethyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.18518 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19246 193.7
[M+Na]+ 412.17440 210.1
[M+NH4]+ 407.21900 199.4
[M+K]+ 428.14834 203.9
[M-H]- 388.17790 198.4
[M+Na-2H]- 410.15985 202.8
[M]+ 389.18463 197.4
[M]- 389.18573 197.4
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.