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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	305.201216	176.6
[M+Na]+	327.183158	186.8
[M-H]-	303.186664	183.7
[M+NH4]+	322.227763	190.8
[M+K]+	343.157098	174.9
[M+H-H2O]+	287.191200	172.3
[M+HCOO]-	349.192141	196.9
[M+CH3COO]-	363.207791	202.6
[M+Na-2H]-	325.168606	177.1
[M]+	304.19339142	176.0
[M]-	304.19448858	176.0

Literature stripe

literature stripe

Patent stripe

patents stripe