CID 139269913

1-(2,6-diethylphenyl)-2,2,4-trimethyl-4-phenyl-3,4-dihydro-2h-pyrrol-1-ium tetrafluoroborate

Structural Information

Molecular Formula
C23H30N
SMILES
CCC1=C(C(=CC=C1)CC)[N+]2=CC(CC2(C)C)(C)C3=CC=CC=C3
InChI
InChI=1S/C23H30N/c1-6-18-12-11-13-19(7-2)21(18)24-17-23(5,16-22(24,3)4)20-14-9-8-10-15-20/h8-15,17H,6-7,16H2,1-5H3/q+1
InChIKey
KKEVWNNGQOEMEC-UHFFFAOYSA-N
Compound name
1-(2,6-diethylphenyl)-2,2,4-trimethyl-4-phenyl-3H-pyrrol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.23782 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24510 181.2
[M+Na]+ 343.22704 189.8
[M-H]- 319.23054 190.5
[M+NH4]+ 338.27164 200.2
[M+K]+ 359.20098 178.5
[M+H-H2O]+ 303.23508 175.3
[M+HCOO]- 365.23602 201.8
[M+CH3COO]- 379.25167 204.8
[M+Na-2H]- 341.21249 184.7
[M]+ 320.23727 181.7
[M]- 320.23837 181.7
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.