CID 22337952

1-phenyl-4-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C24H24
SMILES
C1CC(C2=CC=CC=C2C1CCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H24/c1-3-9-19(10-4-1)15-16-21-17-18-23(20-11-5-2-6-12-20)24-14-8-7-13-22(21)24/h1-14,21,23H,15-18H2
InChIKey
ILCNDBNTTSAFLO-UHFFFAOYSA-N
Compound name
1-phenyl-4-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

312.1878 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19508 176.9
[M+Na]+ 335.17702 181.5
[M-H]- 311.18052 185.9
[M+NH4]+ 330.22162 191.5
[M+K]+ 351.15096 174.2
[M+H-H2O]+ 295.18506 166.7
[M+HCOO]- 357.18600 195.8
[M+CH3COO]- 371.20165 186.7
[M+Na-2H]- 333.16247 181.2
[M]+ 312.18725 172.8
[M]- 312.18835 172.8
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

patents stripe