PubChemLite - 321837-08-5 (C42H30O5)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=CC(=C2C3=C(C(=CC4=CC=CC=C43)COCC5=CC6=CC=CC=C6C(=C5O)C7=C(C=CC8=CC=CC=C87)O)O)O

InChI

InChI=1S/C42H30O5/c43-35-19-17-25-9-1-5-13-31(25)37(35)39-33-15-7-3-11-27(33)21-29(41(39)45)23-47-24-30-22-28-12-4-8-16-34(28)40(42(30)46)38-32-14-6-2-10-26(32)18-20-36(38)44/h1-22,43-46H,23-24H2

InChIKey

UZZFMCDREAEXRS-UHFFFAOYSA-N

Compound name

3-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methoxymethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	615.21663	261.6
[M+Na]+	637.19857	284.7
[M+NH4]+	632.24317	270.0
[M+K]+	653.17251	270.1
[M-H]-	613.20207	273.6
[M+Na-2H]-	635.18402	271.8
[M]+	614.20880	269.1
[M]-	614.20990	269.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

615.21663

261.6

[M+Na]+

637.19857

284.7

[M+NH4]+

632.24317

270.0

[M+K]+

653.17251

270.1

[M-H]-

613.20207

273.6

[M+Na-2H]-

635.18402

271.8

[M]+

614.20880

269.1

[M]-

614.20990

269.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

321837-08-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe