CID 3759321

2-{8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl}acetamide

Structural Information

Molecular Formula
C24H26N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CC(=O)N
InChI
InChI=1S/C24H26N6O3/c1-27-22-21(23(32)28(2)24(27)33)30(15-19(25)31)20(26-22)16-29(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H2,25,31)
InChIKey
GYUXDHAMGNJMAY-UHFFFAOYSA-N
Compound name
2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.20663 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.21391 207.1
[M+Na]+ 469.19585 221.5
[M+NH4]+ 464.24045 211.1
[M+K]+ 485.16979 216.8
[M-H]- 445.19935 211.5
[M+Na-2H]- 467.18130 214.6
[M]+ 446.20608 210.2
[M]- 446.20718 210.2
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.