CID 71310802

852445-81-9

Structural Information

Molecular Formula
C21H24AuClN2
SMILES
CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Au]Cl)C3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C21H24N2.Au.ClH/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;;1H/q;+1;/p-1
InChIKey
YFUIKJIITPMUAT-UHFFFAOYSA-M
Compound name
[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.1294 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.13668 217.3
[M+Na]+ 559.11862 235.0
[M+NH4]+ 554.16322 224.9
[M+K]+ 575.09256 224.6
[M-H]- 535.12212 223.2
[M+Na-2H]- 557.10407 223.9
[M]+ 536.12885 222.1
[M]- 536.12995 222.1
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

No patent data available for this compound.