CID 211437

23111-79-7

Structural Information

Molecular Formula
C21H36N2
SMILES
CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(C)C3CCCCC3)C
InChI
InChI=1S/C21H36N2/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/h4,6-7,10-11,19,21H,5,8-9,12-18H2,1-3H3/q+2
InChIKey
QFIUKWCPDADIJW-UHFFFAOYSA-N
Compound name
1-cyclohexyl-1,4-dimethyl-4-(1-phenylpropan-2-yl)piperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.28784 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.29512 182.7
[M+Na]+ 339.27706 183.3
[M-H]- 315.28056 187.5
[M+NH4]+ 334.32166 196.7
[M+K]+ 355.25100 168.2
[M+H-H2O]+ 299.28510 177.2
[M+HCOO]- 361.28604 192.6
[M+CH3COO]- 375.30169 195.4
[M+Na-2H]- 337.26251 187.2
[M]+ 316.28729 171.0
[M]- 316.28839 171.0
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.