CID 481764

2-amino-7-[[(1s,2r)-2-(hydroxymethyl)cyclopropyl]methyl]-4a,7a-dihydro-3h-pyrrolo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C11H16N4O2
SMILES
C1[C@@H]([C@@H]1CO)CN2C=CC3C2N=C(NC3=O)N
InChI
InChI=1S/C11H16N4O2/c12-11-13-9-8(10(17)14-11)1-2-15(9)4-6-3-7(6)5-16/h1-2,6-9,16H,3-5H2,(H3,12,13,14,17)/t6-,7+,8?,9?/m1/s1
InChIKey
QWZITCGLTBLOJL-DKATWDMPSA-N
Compound name
2-amino-7-[[(1S,2R)-2-(hydroxymethyl)cyclopropyl]methyl]-4a,7a-dihydro-3H-pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.12732 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 159.5
[M+Na]+ 259.11654 169.6
[M-H]- 235.12004 161.0
[M+NH4]+ 254.16114 170.0
[M+K]+ 275.09048 162.4
[M+H-H2O]+ 219.12458 152.2
[M+HCOO]- 281.12552 175.5
[M+CH3COO]- 295.14117 169.4
[M+Na-2H]- 257.10199 160.8
[M]+ 236.12677 158.1
[M]- 236.12787 158.1
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.