CID 985725

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

Structural Information

Molecular Formula
C18H20IN3O
SMILES
C1CN(CCN1CC(=O)NC2=CC=C(C=C2)I)C3=CC=CC=C3
InChI
InChI=1S/C18H20IN3O/c19-15-6-8-16(9-7-15)20-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23)
InChIKey
IEXIYZJTXPOXOK-UHFFFAOYSA-N
Compound name
N-(4-iodophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.06512 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.07240 181.2
[M+Na]+ 444.05434 177.8
[M-H]- 420.05784 179.1
[M+NH4]+ 439.09894 187.0
[M+K]+ 460.02828 178.5
[M+H-H2O]+ 404.06238 166.5
[M+HCOO]- 466.06332 193.6
[M+CH3COO]- 480.07897 185.4
[M+Na-2H]- 442.03979 172.6
[M]+ 421.06457 173.2
[M]- 421.06567 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.