CID 395150

Nsc699450

Structural Information

Molecular Formula
C25H22ClNO4
SMILES
CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=CC=CC=C32)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H22ClNO4/c1-27(2)15-16-29-19-11-7-17(8-12-19)23-21-5-3-4-6-22(21)31-25(28)24(23)30-20-13-9-18(26)10-14-20/h3-14H,15-16H2,1-2H3
InChIKey
NFSBFQFDOKDHPK-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)-4-[4-[2-(dimethylamino)ethoxy]phenyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

435.12375 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.13103 205.8
[M+Na]+ 458.11297 214.5
[M-H]- 434.11647 218.3
[M+NH4]+ 453.15757 215.9
[M+K]+ 474.08691 210.4
[M+H-H2O]+ 418.12101 195.0
[M+HCOO]- 480.12195 223.9
[M+CH3COO]- 494.13760 216.1
[M+Na-2H]- 456.09842 209.3
[M]+ 435.12320 214.9
[M]- 435.12430 214.9
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.