CID 260552

Impatienol

Structural Information

Molecular Formula
C22H14O6
SMILES
CC(C1=C(C2=CC=CC=C2C(=O)C1=O)O)C3=C(C4=CC=CC=C4C(=O)C3=O)O
InChI
InChI=1S/C22H14O6/c1-10(15-17(23)11-6-2-4-8-13(11)19(25)21(15)27)16-18(24)12-7-3-5-9-14(12)20(26)22(16)28/h2-10,23-24H,1H3
InChIKey
MFQBALCZNOKWIP-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[1-(1-hydroxy-3,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

374.07904 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08632 182.7
[M+Na]+ 397.06826 192.2
[M-H]- 373.07176 189.4
[M+NH4]+ 392.11286 195.4
[M+K]+ 413.04220 187.3
[M+H-H2O]+ 357.07630 174.5
[M+HCOO]- 419.07724 198.1
[M+CH3COO]- 433.09289 218.9
[M+Na-2H]- 395.05371 183.7
[M]+ 374.07849 183.8
[M]- 374.07959 183.8
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