CID 44571514

Chembl482353

Structural Information

Molecular Formula
C19H14O4
SMILES
C1=CC=C2C=C(C=CC2=C1)OC(=O)/C=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C19H14O4/c20-17-9-5-13(11-18(17)21)6-10-19(22)23-16-8-7-14-3-1-2-4-15(14)12-16/h1-12,20-21H/b10-6+
InChIKey
GONMLSWFZFPACZ-UXBLZVDNSA-N
Compound name
naphthalen-2-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

306.0892 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09648 169.4
[M+Na]+ 329.07842 177.0
[M-H]- 305.08192 174.6
[M+NH4]+ 324.12302 183.7
[M+K]+ 345.05236 171.6
[M+H-H2O]+ 289.08646 161.6
[M+HCOO]- 351.08740 188.9
[M+CH3COO]- 365.10305 199.7
[M+Na-2H]- 327.06387 173.8
[M]+ 306.08865 169.9
[M]- 306.08975 169.9
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