CID 15954982

7h-pyrrolo[2,3-d]pyrimidine-5-carboximidic acid, 4-(hydroxyamino)-7-(2-c-methyl-b-d-ribofuranosyl)-, methyl ester

Structural Information

Molecular Formula
C14H19N5O6
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)NO)C(=N)OC)CO)O)O
InChI
InChI=1S/C14H19N5O6/c1-14(22)9(21)7(4-20)25-13(14)19-3-6(10(15)24-2)8-11(18-23)16-5-17-12(8)19/h3,5,7,9,13,15,20-23H,4H2,1-2H3,(H,16,17,18)/t7-,9-,13-,14-/m1/s1
InChIKey
UMYYGUZQXUGDRS-MVNCPAOLSA-N
Compound name
methyl 7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(hydroxyamino)pyrrolo[2,3-d]pyrimidine-5-carboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.13354 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14082 175.9
[M+Na]+ 376.12276 184.2
[M-H]- 352.12626 177.4
[M+NH4]+ 371.16736 187.3
[M+K]+ 392.09670 182.0
[M+H-H2O]+ 336.13080 169.6
[M+HCOO]- 398.13174 191.6
[M+CH3COO]- 412.14739 210.1
[M+Na-2H]- 374.10821 177.9
[M]+ 353.13299 177.8
[M]- 353.13409 177.8
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.