CID 39152

42223-02-9

Structural Information

Molecular Formula
C22H24NO5
SMILES
C[N+](C)(C)CC(=O)OCC1(C(=O)C2=C(C1=O)C=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C22H24NO5/c1-23(2,3)13-19(24)28-14-22(15-8-6-5-7-9-15)20(25)17-11-10-16(27-4)12-18(17)21(22)26/h5-12H,13-14H2,1-4H3/q+1
InChIKey
VVCLIHFNTDACTH-UHFFFAOYSA-N
Compound name
[2-[(5-methoxy-1,3-dioxo-2-phenylinden-2-yl)methoxy]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.16544 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17272 187.0
[M+Na]+ 405.15466 200.3
[M+NH4]+ 400.19926 195.9
[M+K]+ 421.12860 194.8
[M-H]- 381.15816 191.7
[M+Na-2H]- 403.14011 194.8
[M]+ 382.16489 190.7
[M]- 382.16599 190.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.