CID 54688500

Hydroxycoumarin deriv. 14

Structural Information

Molecular Formula
C24H20FNO3
SMILES
C1=CC=C(C=C1)N(CCCC2=C(C3=CC=CC=C3OC2=O)O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H20FNO3/c25-17-12-14-19(15-13-17)26(18-7-2-1-3-8-18)16-6-10-21-23(27)20-9-4-5-11-22(20)29-24(21)28/h1-5,7-9,11-15,27H,6,10,16H2
InChIKey
IBXYGSVWJCTCJC-UHFFFAOYSA-N
Compound name
3-[3-(N-(4-fluorophenyl)anilino)propyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.14273 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15001 193.9
[M+Na]+ 412.13195 201.3
[M-H]- 388.13545 203.7
[M+NH4]+ 407.17655 204.0
[M+K]+ 428.10589 196.5
[M+H-H2O]+ 372.13999 182.2
[M+HCOO]- 434.14093 214.2
[M+CH3COO]- 448.15658 203.7
[M+Na-2H]- 410.11740 198.1
[M]+ 389.14218 195.5
[M]- 389.14328 195.5
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.