CID 2824673

N-(4-iodophenyl)-2-(pyrrolidin-1-yl)acetamide

Structural Information

Molecular Formula
C12H15IN2O
SMILES
C1CCN(C1)CC(=O)NC2=CC=C(C=C2)I
InChI
InChI=1S/C12H15IN2O/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)
InChIKey
HPLVRRZPNGILAS-UHFFFAOYSA-N
Compound name
N-(4-iodophenyl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

330.02292 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.030196 159.2
[M+Na]+ 353.012138 157.3
[M-H]- 329.015644 156.7
[M+NH4]+ 348.056743 172.2
[M+K]+ 368.986078 160.3
[M+H-H2O]+ 313.020180 147.7
[M+HCOO]- 375.021121 175.9
[M+CH3COO]- 389.036771 197.4
[M+Na-2H]- 350.997586 149.9
[M]+ 330.02237142 153.2
[M]- 330.02346858 153.2
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