CID 11123757

1,3-dimesitylimidazol-2-ylidene

Structural Information

Molecular Formula
C21H24N2
SMILES
CC1=CC(=C(C(=C1)C)N2C=C[N+](=[C-]2)C3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C21H24N2/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/h7-12H,1-6H3
InChIKey
JCYWCSGERIELPG-UHFFFAOYSA-N
Compound name
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

304.19394 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20122 176.6
[M+Na]+ 327.18316 186.8
[M-H]- 303.18666 183.7
[M+NH4]+ 322.22776 190.8
[M+K]+ 343.15710 174.9
[M+H-H2O]+ 287.19120 172.3
[M+HCOO]- 349.19214 196.9
[M+CH3COO]- 363.20779 202.6
[M+Na-2H]- 325.16861 177.1
[M]+ 304.19339 176.0
[M]- 304.19449 176.0
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