CID 452482

118043-69-9

Structural Information

Molecular Formula
C11H13N5O3
SMILES
C1=C(C2=C(N=CN=C2N1COC(CO)CO)N)C#N
InChI
InChI=1S/C11H13N5O3/c12-1-7-2-16(6-19-8(3-17)4-18)11-9(7)10(13)14-5-15-11/h2,5,8,17-18H,3-4,6H2,(H2,13,14,15)
InChIKey
VDFKVPHKTHDMBO-UHFFFAOYSA-N
Compound name
4-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

263.10184 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10912 156.0
[M+Na]+ 286.09106 165.9
[M-H]- 262.09456 153.2
[M+NH4]+ 281.13566 167.8
[M+K]+ 302.06500 162.1
[M+H-H2O]+ 246.09910 141.0
[M+HCOO]- 308.10004 171.2
[M+CH3COO]- 322.11569 205.0
[M+Na-2H]- 284.07651 159.4
[M]+ 263.10129 152.5
[M]- 263.10239 152.5
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.