CID 156152

71367-28-7

Structural Information

Molecular Formula
C20H18O4
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C20H18O4/c21-19(22)11-9-17-13-5-1-2-6-14(13)18(10-12-20(23)24)16-8-4-3-7-15(16)17/h1-8H,9-12H2,(H,21,22)(H,23,24)
InChIKey
PHRHANASDXMZLU-UHFFFAOYSA-N
Compound name
3-[10-(2-carboxyethyl)anthracen-9-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

186
Patents

322.1205 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 174.1
[M+Na]+ 345.10972 188.2
[M+NH4]+ 340.15432 181.4
[M+K]+ 361.08366 180.9
[M-H]- 321.11322 176.1
[M+Na-2H]- 343.09517 179.3
[M]+ 322.11995 176.6
[M]- 322.12105 176.6
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