CID 451957

Ddsan

Structural Information

Molecular Formula
C12H15N5O3
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=C(C3=C(N=CN=C32)N)C(=O)N
InChI
InChI=1S/C12H15N5O3/c13-10-9-7(11(14)19)3-17(12(9)16-5-15-10)8-2-1-6(4-18)20-8/h3,5-6,8,18H,1-2,4H2,(H2,14,19)(H2,13,15,16)/t6-,8+/m0/s1
InChIKey
LUXJLFMVHQURFG-POYBYMJQSA-N
Compound name
4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

277.1175 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12478 160.3
[M+Na]+ 300.10672 169.0
[M-H]- 276.11022 164.0
[M+NH4]+ 295.15132 174.1
[M+K]+ 316.08066 166.3
[M+H-H2O]+ 260.11476 152.4
[M+HCOO]- 322.11570 179.6
[M+CH3COO]- 336.13135 171.5
[M+Na-2H]- 298.09217 161.5
[M]+ 277.11695 159.5
[M]- 277.11805 159.5
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.