CID 395151

Nsc699451

Structural Information

Molecular Formula
C26H25NO5
SMILES
CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)OC)OC4=CC=CC=C4
InChI
InChI=1S/C26H25NO5/c1-27(2)15-16-30-19-11-9-18(10-12-19)24-22-14-13-21(29-3)17-23(22)32-26(28)25(24)31-20-7-5-4-6-8-20/h4-14,17H,15-16H2,1-3H3
InChIKey
TYQNNJLZHAAOEJ-UHFFFAOYSA-N
Compound name
4-[4-[2-(dimethylamino)ethoxy]phenyl]-7-methoxy-3-phenoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

431.17328 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.18056 206.3
[M+Na]+ 454.16250 213.3
[M-H]- 430.16600 218.8
[M+NH4]+ 449.20710 215.3
[M+K]+ 470.13644 211.3
[M+H-H2O]+ 414.17054 194.2
[M+HCOO]- 476.17148 228.6
[M+CH3COO]- 490.18713 235.5
[M+Na-2H]- 452.14795 209.8
[M]+ 431.17273 214.3
[M]- 431.17383 214.3
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.