CID 11056994

121314-69-0

Structural Information

Molecular Formula
C22H14O4
SMILES
C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C=O)O)O)C=O
InChI
InChI=1S/C22H14O4/c23-11-15-9-13-5-1-3-7-17(13)19(21(15)25)20-18-8-4-2-6-14(18)10-16(12-24)22(20)26/h1-12,25-26H
InChIKey
DENRDANQMQOFEU-UHFFFAOYSA-N
Compound name
4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

342.0892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09648 178.7
[M+Na]+ 365.07842 189.9
[M-H]- 341.08192 185.9
[M+NH4]+ 360.12302 193.0
[M+K]+ 381.05236 183.1
[M+H-H2O]+ 325.08646 170.0
[M+HCOO]- 387.08740 198.8
[M+CH3COO]- 401.10305 190.2
[M+Na-2H]- 363.06387 184.4
[M]+ 342.08865 182.1
[M]- 342.08975 182.1
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