CID 53182

75226-94-7

Structural Information

Molecular Formula
C27H24O2
SMILES
C1=CC=C(C=C1)C(CCC(C2=CC=CC3=CC=CC=C32)C(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C27H24O2/c28-27(29)26(25-17-9-15-22-14-7-8-16-24(22)25)19-18-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17,23,26H,18-19H2,(H,28,29)
InChIKey
YGMQJGKKPNSNRE-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-5,5-diphenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.17764 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18492 194.4
[M+Na]+ 403.16686 197.2
[M-H]- 379.17036 201.9
[M+NH4]+ 398.21146 204.6
[M+K]+ 419.14080 190.6
[M+H-H2O]+ 363.17490 184.0
[M+HCOO]- 425.17584 210.9
[M+CH3COO]- 439.19149 202.2
[M+Na-2H]- 401.15231 196.1
[M]+ 380.17709 192.2
[M]- 380.17819 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

No patent data available for this compound.