CID 361175

Bis(oh naphthoic acid)ch2

Structural Information

Molecular Formula
C23H16O6
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)CC3=CC(=C(C4=CC=CC=C43)O)C(=O)O
InChI
InChI=1S/C23H16O6/c24-20-16-7-3-1-5-14(16)12(10-18(20)22(26)27)9-13-11-19(23(28)29)21(25)17-8-4-2-6-15(13)17/h1-8,10-11,24-25H,9H2,(H,26,27)(H,28,29)
InChIKey
XACRYJAWPVFHLE-UHFFFAOYSA-N
Compound name
4-[(3-carboxy-4-hydroxynaphthalen-1-yl)methyl]-1-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

388.0947 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.10198 188.1
[M+Na]+ 411.08392 196.5
[M-H]- 387.08742 192.4
[M+NH4]+ 406.12852 198.5
[M+K]+ 427.05786 191.3
[M+H-H2O]+ 371.09196 179.8
[M+HCOO]- 433.09290 203.1
[M+CH3COO]- 447.10855 216.2
[M+Na-2H]- 409.06937 190.6
[M]+ 388.09415 190.1
[M]- 388.09525 190.1
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