CID 472168

2-amino-7-[4-hydroxy-2-(hydroxymethyl)butyl]-4a,7a-dihydro-3h-pyrrolo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C11H18N4O3
SMILES
C1=CN(C2C1C(=O)NC(=N2)N)CC(CCO)CO
InChI
InChI=1S/C11H18N4O3/c12-11-13-9-8(10(18)14-11)1-3-15(9)5-7(6-17)2-4-16/h1,3,7-9,16-17H,2,4-6H2,(H3,12,13,14,18)
InChIKey
ZOJSBDQJTYIVQA-UHFFFAOYSA-N
Compound name
2-amino-7-[4-hydroxy-2-(hydroxymethyl)butyl]-4a,7a-dihydro-3H-pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

254.1379 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14518 159.0
[M+Na]+ 277.12712 165.1
[M-H]- 253.13062 154.9
[M+NH4]+ 272.17172 172.3
[M+K]+ 293.10106 160.9
[M+H-H2O]+ 237.13516 151.5
[M+HCOO]- 299.13610 172.3
[M+CH3COO]- 313.15175 190.8
[M+Na-2H]- 275.11257 159.6
[M]+ 254.13735 154.8
[M]- 254.13845 154.8
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.