CID 53338759

852445-83-1

Structural Information

Molecular Formula
C27H36AuClN2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN(C2=[Au]Cl)C3=C(C=CC=C3C(C)C)C(C)C
InChI
InChI=1S/C27H36N2.Au.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-16,18-21H,1-8H3;;1H/q;+1;/p-1
InChIKey
CNJQLSINQGKZAW-UHFFFAOYSA-M
Compound name
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-chlorogold
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.22327 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.23055 241.6
[M+Na]+ 643.21249 255.8
[M+NH4]+ 638.25709 247.7
[M+K]+ 659.18643 247.1
[M-H]- 619.21599 246.3
[M+Na-2H]- 641.19794 245.9
[M]+ 620.22272 245.4
[M]- 620.22382 245.4
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.