CID 31412

Vat yellow 4

Structural Information

Molecular Formula
C24H12O2
SMILES
C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O
InChI
InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H
InChIKey
ZTWQZJLUUZHJGS-UHFFFAOYSA-N
Compound name
hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaene-8,19-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1927
Patents

332.08374 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09102 176.1
[M+Na]+ 355.07296 196.1
[M+NH4]+ 350.11756 188.4
[M+K]+ 371.04690 184.0
[M-H]- 331.07646 182.7
[M+Na-2H]- 353.05841 182.7
[M]+ 332.08319 181.4
[M]- 332.08429 181.4
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