CID 3069138

Brn 4530215

Structural Information

Molecular Formula
C19H23IN2O
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)I)C3=CC=CC=C3
InChI
InChI=1S/C19H23IN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
InChIKey
NWGFLPMMUJJQGS-UHFFFAOYSA-N
Compound name
1-[3-(4-iodophenoxy)propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.0855 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.09278 181.4
[M+Na]+ 445.07472 178.4
[M-H]- 421.07822 178.9
[M+NH4]+ 440.11932 187.5
[M+K]+ 461.04866 178.9
[M+H-H2O]+ 405.08276 166.4
[M+HCOO]- 467.08370 193.2
[M+CH3COO]- 481.09935 185.8
[M+Na-2H]- 443.06017 172.8
[M]+ 422.08495 175.5
[M]- 422.08605 175.5
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.