CID 395149

Nsc699449

Structural Information

Molecular Formula
C25H23NO4
SMILES
CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=CC=CC=C32)OC4=CC=CC=C4
InChI
InChI=1S/C25H23NO4/c1-26(2)16-17-28-19-14-12-18(13-15-19)23-21-10-6-7-11-22(21)30-25(27)24(23)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3
InChIKey
DQZSHZDMLKJXCU-UHFFFAOYSA-N
Compound name
4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

401.16272 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17000 198.3
[M+Na]+ 424.15194 205.3
[M-H]- 400.15544 210.7
[M+NH4]+ 419.19654 208.4
[M+K]+ 440.12588 202.5
[M+H-H2O]+ 384.15998 186.7
[M+HCOO]- 446.16092 220.9
[M+CH3COO]- 460.17657 208.7
[M+Na-2H]- 422.13739 203.1
[M]+ 401.16217 204.3
[M]- 401.16327 204.3
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

patents stripe