CID 3062550

98402-29-0

Structural Information

Molecular Formula
C15H22N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C3=NCCC3)O
InChI
InChI=1S/C15H22N6O3/c1-18(11-5-4-6-16-11)7-10(22)8-21-9-17-13-12(21)14(23)20(3)15(24)19(13)2/h9-10,22H,4-8H2,1-3H3
InChIKey
DUBDQRDKEQRUHC-UHFFFAOYSA-N
Compound name
7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.17532 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18260 177.6
[M+Na]+ 357.16454 187.9
[M-H]- 333.16804 180.9
[M+NH4]+ 352.20914 189.4
[M+K]+ 373.13848 184.4
[M+H-H2O]+ 317.17258 168.1
[M+HCOO]- 379.17352 196.2
[M+CH3COO]- 393.18917 213.5
[M+Na-2H]- 355.14999 177.3
[M]+ 334.17477 182.8
[M]- 334.17587 182.8
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.