CID 4532746

60930-61-2

Structural Information

Molecular Formula
C28H22O2
SMILES
CC1=CC=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O
InChI
InChI=1S/C28H22O2/c1-18-10-12-21(13-11-18)26(27-22-8-4-2-6-19(22)14-16-24(27)29)28-23-9-5-3-7-20(23)15-17-25(28)30/h2-17,26,29-30H,1H3
InChIKey
MCIXKEOILFCYRA-UHFFFAOYSA-N
Compound name
1-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

390.162 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.169276 196.5
[M+Na]+ 413.151218 204.5
[M-H]- 389.154724 205.5
[M+NH4]+ 408.195823 207.8
[M+K]+ 429.125158 196.4
[M+H-H2O]+ 373.159260 186.0
[M+HCOO]- 435.160201 213.8
[M+CH3COO]- 449.175851 205.6
[M+Na-2H]- 411.136666 200.4
[M]+ 390.16145142 196.4
[M]- 390.16254858 196.4
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

patents stripe