CID 2988813

7-(2-methoxyethyl)-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1h-purine-2,6-dione

Structural Information

Molecular Formula
C16H26N6O3
SMILES
CN1CCN(CC1)CC2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C16H26N6O3/c1-18-5-7-21(8-6-18)11-12-17-14-13(22(12)9-10-25-4)15(23)20(3)16(24)19(14)2/h5-11H2,1-4H3
InChIKey
KWTDWRNFYWPVEY-UHFFFAOYSA-N
Compound name
7-(2-methoxyethyl)-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

350.20663 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21391 188.6
[M+Na]+ 373.19585 200.0
[M-H]- 349.19935 189.3
[M+NH4]+ 368.24045 197.2
[M+K]+ 389.16979 194.4
[M+H-H2O]+ 333.20389 177.7
[M+HCOO]- 395.20483 202.2
[M+CH3COO]- 409.22048 216.4
[M+Na-2H]- 371.18130 187.8
[M]+ 350.20608 193.4
[M]- 350.20718 193.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.