CID 3045659

1-(3-amino-3-oxopropyl)-1-methyl-4-(3-methylphenyl)piperazinium iodide

Structural Information

Molecular Formula
C15H24N3O
SMILES
CC1=CC(=CC=C1)N2CC[N+](CC2)(C)CCC(=O)N
InChI
InChI=1S/C15H23N3O/c1-13-4-3-5-14(12-13)17-7-10-18(2,11-8-17)9-6-15(16)19/h3-5,12H,6-11H2,1-2H3,(H-,16,19)/p+1
InChIKey
IZZBFVOIUBITRK-UHFFFAOYSA-O
Compound name
3-[1-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19193 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.19921 161.5
[M+Na]+ 285.18115 174.8
[M+NH4]+ 280.22575 171.4
[M+K]+ 301.15509 166.9
[M-H]- 261.18465 166.5
[M+Na-2H]- 283.16660 170.0
[M]+ 262.19138 165.2
[M]- 262.19248 165.2
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.