CID 479687

1-(2-hydroxyethoxymethyl)-4-iodo-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C7H10IN3O3
SMILES
C1=C(C(=NN1COCCO)C(=O)N)I
InChI
InChI=1S/C7H10IN3O3/c8-5-3-11(4-14-2-1-12)10-6(5)7(9)13/h3,12H,1-2,4H2,(H2,9,13)
InChIKey
NZCLUFOOADNIGW-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-4-iodopyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.97668 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.98396 154.2
[M+Na]+ 333.96590 155.2
[M-H]- 309.96940 147.2
[M+NH4]+ 329.01050 166.4
[M+K]+ 349.93984 159.4
[M+H-H2O]+ 293.97394 143.4
[M+HCOO]- 355.97488 170.9
[M+CH3COO]- 369.99053 192.1
[M+Na-2H]- 331.95135 144.6
[M]+ 310.97613 152.5
[M]- 310.97723 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

literature stripe

Patent stripe

No patent data available for this compound.