CID 10905491

18531-91-4

Structural Information

Molecular Formula
C24H18O6
SMILES
COC(=O)C1=CC2=CC=CC=C2C(=C1O)C3=C(C(=CC4=CC=CC=C43)C(=O)OC)O
InChI
InChI=1S/C24H18O6/c1-29-23(27)17-11-13-7-3-5-9-15(13)19(21(17)25)20-16-10-6-4-8-14(16)12-18(22(20)26)24(28)30-2/h3-12,25-26H,1-2H3
InChIKey
SCOGIYZPQMECLW-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

402.11035 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.11763 193.5
[M+Na]+ 425.09957 202.4
[M-H]- 401.10307 200.3
[M+NH4]+ 420.14417 204.8
[M+K]+ 441.07351 198.4
[M+H-H2O]+ 385.10761 184.2
[M+HCOO]- 447.10855 211.0
[M+CH3COO]- 461.12420 221.8
[M+Na-2H]- 423.08502 196.1
[M]+ 402.10980 199.0
[M]- 402.11090 199.0
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