CID 54688501

Hydroxycoumarin deriv. 15

Structural Information

Molecular Formula
C25H23NO3
SMILES
C1=CC=C(C=C1)CN(CCCC2=C(C3=CC=CC=C3OC2=O)O)C4=CC=CC=C4
InChI
InChI=1S/C25H23NO3/c27-24-21-14-7-8-16-23(21)29-25(28)22(24)15-9-17-26(20-12-5-2-6-13-20)18-19-10-3-1-4-11-19/h1-8,10-14,16,27H,9,15,17-18H2
InChIKey
ZMFRGKSKAUYBMV-UHFFFAOYSA-N
Compound name
3-[3-(N-benzylanilino)propyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.1678 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17508 194.2
[M+Na]+ 408.15702 200.1
[M-H]- 384.16052 204.8
[M+NH4]+ 403.20162 204.2
[M+K]+ 424.13096 195.6
[M+H-H2O]+ 368.16506 183.2
[M+HCOO]- 430.16600 215.3
[M+CH3COO]- 444.18165 203.9
[M+Na-2H]- 406.14247 199.3
[M]+ 385.16725 196.7
[M]- 385.16835 196.7
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.