CID 3045663

1-(3-amino-3-oxopropyl)-4-(3-chlorophenyl)-1-methylpiperazinium iodide

Structural Information

Molecular Formula
C14H21ClN3O
SMILES
C[N+]1(CCN(CC1)C2=CC(=CC=C2)Cl)CCC(=O)N
InChI
InChI=1S/C14H20ClN3O/c1-18(8-5-14(16)19)9-6-17(7-10-18)13-4-2-3-12(15)11-13/h2-4,11H,5-10H2,1H3,(H-,16,19)/p+1
InChIKey
YXXHUXVDNWUSQQ-UHFFFAOYSA-O
Compound name
3-[4-(3-chlorophenyl)-1-methylpiperazin-1-ium-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.13733 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14461 162.4
[M+Na]+ 305.12655 176.8
[M+NH4]+ 300.17115 172.7
[M+K]+ 321.10049 168.2
[M-H]- 281.13005 167.4
[M+Na-2H]- 303.11200 171.3
[M]+ 282.13678 166.6
[M]- 282.13788 166.6
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.