CID 368154

Nsc638503

Structural Information

Molecular Formula
C30H24O4
SMILES
COC1=CC=C(C2=CC=CC=C21)C(C3=CC=CC=C3C(=O)O)C4=CC=C(C5=CC=CC=C54)OC
InChI
InChI=1S/C30H24O4/c1-33-27-17-15-24(19-9-3-5-11-21(19)27)29(23-13-7-8-14-26(23)30(31)32)25-16-18-28(34-2)22-12-6-4-10-20(22)25/h3-18,29H,1-2H3,(H,31,32)
InChIKey
RPHANSZCZYCVHU-UHFFFAOYSA-N
Compound name
2-[bis(4-methoxynaphthalen-1-yl)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.16745 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.17473 211.3
[M+Na]+ 471.15667 218.0
[M-H]- 447.16017 221.1
[M+NH4]+ 466.20127 220.3
[M+K]+ 487.13061 212.1
[M+H-H2O]+ 431.16471 199.5
[M+HCOO]- 493.16565 228.6
[M+CH3COO]- 507.18130 219.5
[M+Na-2H]- 469.14212 213.5
[M]+ 448.16690 214.8
[M]- 448.16800 214.8
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.