CID 211439

23111-80-0

Structural Information

Molecular Formula
C21H30N2
SMILES
CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(C)C3=CC=CC=C3)C
InChI
InChI=1S/C21H30N2/c1-19(18-20-10-6-4-7-11-20)22(2)14-16-23(3,17-15-22)21-12-8-5-9-13-21/h4-13,19H,14-18H2,1-3H3/q+2
InChIKey
QOKZGBLMFCRTPU-UHFFFAOYSA-N
Compound name
1,4-dimethyl-1-phenyl-4-(1-phenylpropan-2-yl)piperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2409 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.248176 179.4
[M+Na]+ 333.230118 183.0
[M-H]- 309.233624 185.4
[M+NH4]+ 328.274723 193.9
[M+K]+ 349.204058 167.2
[M+H-H2O]+ 293.238160 173.9
[M+HCOO]- 355.239101 193.5
[M+CH3COO]- 369.254751 194.4
[M+Na-2H]- 331.215566 186.9
[M]+ 310.24035142 172.0
[M]- 310.24144858 172.0
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.