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 209.4
[M+Na]+ 469.19585 218.3
[M-H]- 445.19935 217.1
[M+NH4]+ 464.24045 215.4
[M+K]+ 485.16979 211.9
[M+H-H2O]+ 429.20389 196.9
[M+HCOO]- 491.20483 229.7
[M+CH3COO]- 505.22048 240.7
[M+Na-2H]- 467.18130 210.2
[M]+ 446.20608 214.7
[M]- 446.20718 214.7
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.