CID 374569

Nsc652543

Structural Information

Molecular Formula
C32H29BrO2
SMILES
COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OCCCCCBr
InChI
InChI=1S/C32H29BrO2/c1-34-25-17-13-23(14-18-25)31-27-9-3-5-11-29(27)32(30-12-6-4-10-28(30)31)24-15-19-26(20-16-24)35-22-8-2-7-21-33/h3-6,9-20H,2,7-8,21-22H2,1H3
InChIKey
QSCMRUNAFBXNIL-UHFFFAOYSA-N
Compound name
9-[4-(5-bromopentoxy)phenyl]-10-(4-methoxyphenyl)anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.1351 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.14238 230.7
[M+Na]+ 547.12432 239.4
[M-H]- 523.12782 242.7
[M+NH4]+ 542.16892 241.6
[M+K]+ 563.09826 225.9
[M+H-H2O]+ 507.13236 225.3
[M+HCOO]- 569.13330 247.5
[M+CH3COO]- 583.14895 239.7
[M+Na-2H]- 545.10977 233.6
[M]+ 524.13455 252.9
[M]- 524.13565 252.9
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.