CID 364599

Nsc631127

Structural Information

Molecular Formula
C29H22O3
SMILES
CC(C1=CC=CC=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)O
InChI
InChI=1S/C29H22O3/c1-19(20-9-3-2-4-10-20)29(31)32-26-18-16-22-12-6-8-14-24(22)28(26)27-23-13-7-5-11-21(23)15-17-25(27)30/h2-19,30H,1H3
InChIKey
KSCUIWLQYJARAZ-UHFFFAOYSA-N
Compound name
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] 2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1569 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16418 203.5
[M+Na]+ 441.14612 210.2
[M-H]- 417.14962 213.2
[M+NH4]+ 436.19072 213.7
[M+K]+ 457.12006 203.4
[M+H-H2O]+ 401.15416 192.1
[M+HCOO]- 463.15510 221.1
[M+CH3COO]- 477.17075 212.1
[M+Na-2H]- 439.13157 206.8
[M]+ 418.15635 204.8
[M]- 418.15745 204.8
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.