CID 465664

Chembl295590

Structural Information

Molecular Formula
C27H29FN2O4
SMILES
CCN(CC)CCOC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C27H29FN2O4/c1-3-30(4-2)17-18-33-23-15-13-22(14-16-23)29-26(31)19-34-25-8-6-5-7-24(25)27(32)20-9-11-21(28)12-10-20/h5-16H,3-4,17-19H2,1-2H3,(H,29,31)
InChIKey
FTORRNMMLSKUNU-UHFFFAOYSA-N
Compound name
N-[4-[2-(diethylamino)ethoxy]phenyl]-2-[2-(4-fluorobenzoyl)phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.21112 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.21840 215.0
[M+Na]+ 487.20034 217.5
[M-H]- 463.20384 223.3
[M+NH4]+ 482.24494 222.0
[M+K]+ 503.17428 213.8
[M+H-H2O]+ 447.20838 202.1
[M+HCOO]- 509.20932 236.5
[M+CH3COO]- 523.22497 243.6
[M+Na-2H]- 485.18579 213.6
[M]+ 464.21057 218.4
[M]- 464.21167 218.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.