CID 452492

127945-96-4

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C1=C(C2=C(N=CN=C2N1CC(CO)O)N)C(=O)N
InChI
InChI=1S/C10H13N5O3/c11-8-7-6(9(12)18)2-15(1-5(17)3-16)10(7)14-4-13-8/h2,4-5,16-17H,1,3H2,(H2,12,18)(H2,11,13,14)
InChIKey
WTFLMJBAECXDFR-UHFFFAOYSA-N
Compound name
4-amino-7-(2,3-dihydroxypropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.10184 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 153.8
[M+Na]+ 274.09106 162.5
[M-H]- 250.09456 152.2
[M+NH4]+ 269.13566 167.5
[M+K]+ 290.06500 159.1
[M+H-H2O]+ 234.09910 146.1
[M+HCOO]- 296.10004 172.8
[M+CH3COO]- 310.11569 195.0
[M+Na-2H]- 272.07651 156.8
[M]+ 251.10129 153.0
[M]- 251.10239 153.0
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.