CID 3019819

1-phenyl-3-(2-phenylpropyl)indan

Structural Information

Molecular Formula
C24H24
SMILES
CC(CC1CC(C2=CC=CC=C12)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H24/c1-18(19-10-4-2-5-11-19)16-21-17-24(20-12-6-3-7-13-20)23-15-9-8-14-22(21)23/h2-15,18,21,24H,16-17H2,1H3
InChIKey
JOJLONCHKZAGGP-UHFFFAOYSA-N
Compound name
1-phenyl-3-(2-phenylpropyl)-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1878 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19508 178.1
[M+Na]+ 335.17702 183.5
[M-H]- 311.18052 187.9
[M+NH4]+ 330.22162 194.8
[M+K]+ 351.15096 176.6
[M+H-H2O]+ 295.18506 169.2
[M+HCOO]- 357.18600 198.4
[M+CH3COO]- 371.20165 188.7
[M+Na-2H]- 333.16247 179.3
[M]+ 312.18725 175.9
[M]- 312.18835 175.9
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

No patent data available for this compound.