CID 479693

1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-iodo-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C9H12IN3O3
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=C(C(=N2)C(=O)N)I
InChI
InChI=1S/C9H12IN3O3/c10-6-3-13(12-8(6)9(11)15)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,15)/t5-,7+/m0/s1
InChIKey
LIOGMKDRVVLMRC-CAHLUQPWSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4-iodopyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.99234 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.99962 159.8
[M+Na]+ 359.98156 160.1
[M-H]- 335.98506 156.4
[M+NH4]+ 355.02616 171.3
[M+K]+ 375.95550 164.7
[M+H-H2O]+ 319.98960 149.2
[M+HCOO]- 381.99054 174.4
[M+CH3COO]- 396.00619 195.9
[M+Na-2H]- 357.96701 147.8
[M]+ 336.99179 155.6
[M]- 336.99289 155.6
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.