CID 452484

118043-70-2

Structural Information

Molecular Formula
C11H15N5O4
SMILES
C1=C(C2=C(N=CN=C2N1COC(CO)CO)N)C(=O)N
InChI
InChI=1S/C11H15N5O4/c12-9-8-7(10(13)19)1-16(11(8)15-4-14-9)5-20-6(2-17)3-18/h1,4,6,17-18H,2-3,5H2,(H2,13,19)(H2,12,14,15)
InChIKey
MBEDXJIXQVXSPE-UHFFFAOYSA-N
Compound name
4-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

281.1124 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 160.0
[M+Na]+ 304.10162 168.0
[M-H]- 280.10512 158.3
[M+NH4]+ 299.14622 172.4
[M+K]+ 320.07556 165.1
[M+H-H2O]+ 264.10966 151.9
[M+HCOO]- 326.11060 178.9
[M+CH3COO]- 340.12625 200.2
[M+Na-2H]- 302.08707 162.8
[M]+ 281.11185 161.0
[M]- 281.11295 161.0
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.