CID 453764

1-beta-d-ribofuranosyl-4-iodopyrazole-3-carboxamide

Structural Information

Molecular Formula
C9H12IN3O5
SMILES
C1=C(C(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N)I
InChI
InChI=1S/C9H12IN3O5/c10-3-1-13(12-5(3)8(11)17)9-7(16)6(15)4(2-14)18-9/h1,4,6-7,9,14-16H,2H2,(H2,11,17)/t4-,6-,7-,9-/m1/s1
InChIKey
QONCHRHGFNMWIN-FJGDRVTGSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iodopyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

368.98218 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.98946 168.8
[M+Na]+ 391.97140 169.4
[M-H]- 367.97490 163.7
[M+NH4]+ 387.01600 178.0
[M+K]+ 407.94534 173.5
[M+H-H2O]+ 351.97944 158.9
[M+HCOO]- 413.98038 180.6
[M+CH3COO]- 427.99603 198.6
[M+Na-2H]- 389.95685 154.7
[M]+ 368.98163 164.4
[M]- 368.98273 164.4
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

patents stripe