CID 81382

6948-88-5

Structural Information

Molecular Formula
C27H20O3
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C3=CC=CC=C32)O)(C4=CC=C(C5=CC=CC=C54)O)O
InChI
InChI=1S/C27H20O3/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(30,18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28-30H
InChIKey
OUYLDJXFDLBCTQ-UHFFFAOYSA-N
Compound name
4-[hydroxy-(4-hydroxynaphthalen-1-yl)-phenylmethyl]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

392.14124 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14852 194.9
[M+Na]+ 415.13046 202.6
[M-H]- 391.13396 202.7
[M+NH4]+ 410.17506 205.3
[M+K]+ 431.10440 194.8
[M+H-H2O]+ 375.13850 185.0
[M+HCOO]- 437.13944 210.6
[M+CH3COO]- 451.15509 203.7
[M+Na-2H]- 413.11591 202.0
[M]+ 392.14069 194.0
[M]- 392.14179 194.0
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