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]+ 311.24818 179.4
[M+Na]+ 333.23012 183.0
[M-H]- 309.23362 185.4
[M+NH4]+ 328.27472 193.9
[M+K]+ 349.20406 167.2
[M+H-H2O]+ 293.23816 173.9
[M+HCOO]- 355.23910 193.5
[M+CH3COO]- 369.25475 194.4
[M+Na-2H]- 331.21557 186.9
[M]+ 310.24035 172.0
[M]- 310.24145 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.