CID 3051264

67361-09-5

Structural Information

Molecular Formula
C22H29N2
SMILES
CC(CC1=CC=CC=C1)[N+]2(CCN(CC2)C3=CC=CC=C3)CC=C
InChI
InChI=1S/C22H29N2/c1-3-16-24(20(2)19-21-10-6-4-7-11-21)17-14-23(15-18-24)22-12-8-5-9-13-22/h3-13,20H,1,14-19H2,2H3/q+1
InChIKey
QHAVHSIRZUCPSY-UHFFFAOYSA-N
Compound name
4-phenyl-1-(1-phenylpropan-2-yl)-1-prop-2-enylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.23306 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.24034 183.0
[M+Na]+ 344.22228 185.8
[M-H]- 320.22578 188.2
[M+NH4]+ 339.26688 195.2
[M+K]+ 360.19622 174.0
[M+H-H2O]+ 304.23032 174.3
[M+HCOO]- 366.23126 197.5
[M+CH3COO]- 380.24691 202.2
[M+Na-2H]- 342.20773 187.2
[M]+ 321.23251 176.3
[M]- 321.23361 176.3
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.