CID 16218158

639820-61-4

Structural Information

Molecular Formula
C22H31N2
SMILES
CC1=CC(=C(C(=C1)C)N2CC[N+](=C2)C34CC5CC(C3)CC(C5)C4)C
InChI
InChI=1S/C22H31N2/c1-15-6-16(2)21(17(3)7-15)23-4-5-24(14-23)22-11-18-8-19(12-22)10-20(9-18)13-22/h6-7,14,18-20H,4-5,8-13H2,1-3H3/q+1
InChIKey
SPZDFWKGLDHBCI-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

323.24872 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.25600 178.5
[M+Na]+ 346.23794 180.9
[M-H]- 322.24144 177.6
[M+NH4]+ 341.28254 198.4
[M+K]+ 362.21188 169.5
[M+H-H2O]+ 306.24598 170.0
[M+HCOO]- 368.24692 181.9
[M+CH3COO]- 382.26257 184.9
[M+Na-2H]- 344.22339 183.9
[M]+ 323.24817 176.5
[M]- 323.24927 176.5
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

patents stripe