CID 170585

41906-71-2

Structural Information

Molecular Formula
C27H30
SMILES
CC1(CC(C2=CC=CC=C21)(C)C3=CC=CC=C3)CC(C)(C)C4=CC=CC=C4
InChI
InChI=1S/C27H30/c1-25(2,21-13-7-5-8-14-21)19-26(3)20-27(4,22-15-9-6-10-16-22)24-18-12-11-17-23(24)26/h5-18H,19-20H2,1-4H3
InChIKey
UXZZHVLZNFQJMN-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1-(2-methyl-2-phenylpropyl)-3-phenyl-2H-indene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

354.23474 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.24202 192.5
[M+Na]+ 377.22396 199.7
[M-H]- 353.22746 202.9
[M+NH4]+ 372.26856 211.8
[M+K]+ 393.19790 192.5
[M+H-H2O]+ 337.23200 183.5
[M+HCOO]- 399.23294 211.3
[M+CH3COO]- 413.24859 203.0
[M+Na-2H]- 375.20941 195.9
[M]+ 354.23419 192.2
[M]- 354.23529 192.2
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