CID 395152

Nsc699452

Structural Information

Molecular Formula
C26H24ClNO5
SMILES
CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)OC)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H24ClNO5/c1-28(2)14-15-31-19-8-4-17(5-9-19)24-22-13-12-21(30-3)16-23(22)33-26(29)25(24)32-20-10-6-18(27)7-11-20/h4-13,16H,14-15H2,1-3H3
InChIKey
BONRLZCXTLXLKF-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

465.1343 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.14158 213.4
[M+Na]+ 488.12352 222.2
[M-H]- 464.12702 226.1
[M+NH4]+ 483.16812 222.3
[M+K]+ 504.09746 218.9
[M+H-H2O]+ 448.13156 202.2
[M+HCOO]- 510.13250 231.2
[M+CH3COO]- 524.14815 240.1
[M+Na-2H]- 486.10897 215.8
[M]+ 465.13375 224.6
[M]- 465.13485 224.6
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

patents stripe