CID 2734214

1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate

Structural Information

Molecular Formula
C21H27N2
SMILES
CC1=CC(=C(C(=C1)C)N2CC[N+](=C2)C3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C21H27N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h9-13H,7-8H2,1-6H3/q+1
InChIKey
GONBKFIOUGPBTG-UHFFFAOYSA-N
Compound name
1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

430
Patents

307.21744 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22472 179.0
[M+Na]+ 330.20666 189.0
[M-H]- 306.21016 187.5
[M+NH4]+ 325.25126 193.9
[M+K]+ 346.18060 177.4
[M+H-H2O]+ 290.21470 172.5
[M+HCOO]- 352.21564 198.6
[M+CH3COO]- 366.23129 205.8
[M+Na-2H]- 328.19211 179.2
[M]+ 307.21689 179.8
[M]- 307.21799 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe