CID 211431

23111-71-9

Structural Information

Molecular Formula
C25H35N2
SMILES
CC(CC1=CC=CC=C1)N2CC[N+](CC2)(CC=C)C(C)CC3=CC=CC=C3
InChI
InChI=1S/C25H35N2/c1-4-17-27(23(3)21-25-13-9-6-10-14-25)18-15-26(16-19-27)22(2)20-24-11-7-5-8-12-24/h4-14,22-23H,1,15-21H2,2-3H3/q+1
InChIKey
ZXCQYMYIWVPOSK-UHFFFAOYSA-N
Compound name
1,4-bis(1-phenylpropan-2-yl)-1-prop-2-enylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.28003 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.28731 195.8
[M+Na]+ 386.26925 196.8
[M-H]- 362.27275 200.4
[M+NH4]+ 381.31385 206.1
[M+K]+ 402.24319 184.9
[M+H-H2O]+ 346.27729 186.7
[M+HCOO]- 408.27823 208.2
[M+CH3COO]- 422.29388 211.8
[M+Na-2H]- 384.25470 197.2
[M]+ 363.27948 189.4
[M]- 363.28058 189.4
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.